Butanethiol | CAS#109-79-5 | organosulfur

MedKoo Cat#: 146263 | Name: Butanethiol

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Butanethiol, also known as butyl mercaptan, is an organosulfur compound. Butanethiol is primarily used as a chemical intermediate in the production of pesticides, plastics, and pharmaceuticals, and is also added in trace amounts to natural gas as an odorant for leak detection. Its mechanism of action in industrial use typically involves nucleophilic substitution reactions due to the high reactivity of the thiol (-SH) group. Butanethiol plays an important role in safety and chemical synthesis.

Chemical Structure

Butanethiol

CAS#109-79-5

Theoretical Analysis

MedKoo Cat#: 146263

Name: Butanethiol

CAS#: 109-79-5

Chemical Formula: C4H10S

Exact Mass: 90.0503

Molecular Weight: 90.18

Elemental Analysis: C, 53.27; H, 11.18; S, 35.55

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

No Data

Synonym

Butanethiol; Butylmercaptan;

IUPAC/Chemical Name

butane-1-thiol

InChi Key

WQAQPCDUOCURKW-UHFFFAOYSA-N

InChi Code

1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3

SMILES Code

CCCCS

Appearance

To be determined

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).

Solubility

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 90.18 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Cardona AL, Gibilisco RG, Blanco MB, Wiesen P, Teruel M. Gas-phase degradation of 2-butanethiol initiated by OH radicals and Cl atoms: kinetics, product yields and mechanism at 298 K and atmospheric pressure. RSC Adv. 2019 Jul 22;9(39):22618-22626. doi: 10.1039/c9ra04051j. PMID: 35519461; PMCID: PMC9067059. 2: Kawashima Y, Tanaka Y, Uzuyama T, Hirota E. Conformations and Low-Frequency Intramolecular Motions of 1-Butanol, 1-Butanethiol, Iso-butanol, and Iso-butanethiol Investigated by Fourier Transform Microwave Spectroscopy Combined with Quantum Chemical Calculations. J Phys Chem A. 2021 Feb 11;125(5):1166-1183. doi: 10.1021/acs.jpca.0c09687. Epub 2021 Jan 27. PMID: 33502865. 3: Yang YW, Venkatesh S, Fan LJ, Dann TE, Lai LJ. NEXAFS study of 1-butanethiol adsorbed on Cu(111) and square root of 7 x square root of 7 R19.1 degrees S/Cu(111). J Synchrotron Radiat. 2001 Jul 1;8(4):1121-3. doi: 10.1107/s0909049500016782. PMID: 11486365. 4: Mascia MP, Gong DH, Eger EI 2nd, Harris RA. The anesthetic potency of propanol and butanol versus propanethiol and butanethiol in alpha1 wild type and alpha1(S267Q) glycine receptors. Anesth Analg. 2000 Nov;91(5):1289-93. doi: 10.1097/00000539-200011000-00044. PMID: 11049924. 5: Ouyang R, Yan J, Jensen PS, Ascic E, Gan S, Tanner D, Mao B, Niu L, Zhang J, Tang C, Hush NS, Reimers JR, Ulstrup J. Intermixed adatom and surface-bound adsorbates in regular self-assembled monolayers of racemic 2-butanethiol on Au(111). Chemphyschem. 2015 Apr 7;16(5):928-32. doi: 10.1002/cphc.201402904. Epub 2015 Feb 3. PMID: 25648513. 6: Kim HY, Lee SB, Cho HW, Kang MG, Yang JS, Shin IS, Kim JC. Evaluation of 13-week inhalation toxicity of sec-butanethiol in rats. Food Chem Toxicol. 2009 Sep;47(9):2294-301. doi: 10.1016/j.fct.2009.06.017. Epub 2009 Jun 13. PMID: 19527766. 7: Graf FMR, Buchhaupt M. Engineering volatile thiol formation in yeast. J Appl Microbiol. 2023 Feb 16;134(2):lxac078. doi: 10.1093/jambio/lxac078. PMID: 36626784. 8: Bantchev GB, Kenar JA, Biresaw G, Han MG. Free radical addition of butanethiol to vegetable oil double bonds. J Agric Food Chem. 2009 Feb 25;57(4):1282-90. doi: 10.1021/jf802774g. PMID: 19166316. 9: Yan J, Ouyang R, Jensen PS, Ascic E, Tanner D, Mao B, Zhang J, Tang C, Hush NS, Ulstrup J, Reimers JR. Controlling the stereochemistry and regularity of butanethiol self-assembled monolayers on au(111). J Am Chem Soc. 2014 Dec 10;136(49):17087-94. doi: 10.1021/ja508100c. Epub 2014 Dec 2. PMID: 25407476. 10: Choi S, Kang TY, Choi KW, Han S, Ahn DS, Baek SJ, Kim SK. Conformationally specific vacuum ultraviolet mass-analyzed threshold ionization spectroscopy of alkanethiols: structure and ionization of conformational isomers of ethanethiol, isopropanethiol, 1-propanethiol, tert-butanethiol, and 1-butanethiol. J Phys Chem A. 2008 Aug 7;112(31):7191-9. doi: 10.1021/jp801559t. Epub 2008 Jul 17. PMID: 18636705. 11: Shimizu K, Kobayashi N, Satsuma A, Kojima T, Satokawa S. Mechanistic study on adsorptive removal of tert-butanethiol on Ag-Y zeolite under ambient conditions. J Phys Chem B. 2006 Nov 16;110(45):22570-6. doi: 10.1021/jp063590h. PMID: 17092003. 12: Biwer P, Neumann-Schaal M, Henke P, Jahn D, Schulz S. Thiol Metabolism and Volatile Metabolome of Clostridioides difficile. Front Microbiol. 2022 Jun 16;13:864587. doi: 10.3389/fmicb.2022.864587. PMID: 35783419; PMCID: PMC9243749. 13: Demir C, Kip Ç, Tuncel A. Alkanethiol-functionalized organosilicon monoliths for nano-reversed-phase liquid chromatography. Electrophoresis. 2018 Nov;39(22):2919-2928. doi: 10.1002/elps.201800280. Epub 2018 Sep 21. PMID: 30194741. 14: Timm N, Reeves S. A mass casualty incident involving children and chemical decontamination. Disaster Manag Response. 2007 Apr-Jun;5(2):49-55. doi: 10.1016/j.dmr.2007.02.001. PMID: 17517363. 15: Piccini G, Polino D, Parrinello M. Identifying Slow Molecular Motions in Complex Chemical Reactions. J Phys Chem Lett. 2017 Sep 7;8(17):4197-4200. doi: 10.1021/acs.jpclett.7b01889. Epub 2017 Aug 22. PMID: 28829135. 16: Hou Y, Aydin E, De Bastiani M, Xiao C, Isikgor FH, Xue DJ, Chen B, Chen H, Bahrami B, Chowdhury AH, Johnston A, Baek SW, Huang Z, Wei M, Dong Y, Troughton J, Jalmood R, Mirabelli AJ, Allen TG, Van Kerschaver E, Saidaminov MI, Baran D, Qiao Q, Zhu K, De Wolf S, Sargent EH. Efficient tandem solar cells with solution-processed perovskite on textured crystalline silicon. Science. 2020 Mar 6;367(6482):1135-1140. doi: 10.1126/science.aaz3691. PMID: 32139544. 17: Sukul P, Fischer DC, Broderius C, Grzegorzewski S, Rahn A, Mittlmeier T, Kreikemeyer B, Reuter DA, Schubert JK, Miekisch W. Exhaled breath metabolites reveal postmenopausal gut-bone cross-talk and non-invasive markers for osteoporosis. Commun Med (Lond). 2024 Dec 28;4(1):279. doi: 10.1038/s43856-024-00723-4. PMID: 39732987; PMCID: PMC11682404. 18: Kip Ç, Liu S, Fu X, Tuncel A, Lämmerhofer M. In-situ photopolymerized C4-functionalized organosilicon monoliths for reversed-phase protein separation in nano-liquid chromatography. Talanta. 2019 Jun 1;198:330-336. doi: 10.1016/j.talanta.2019.01.116. Epub 2019 Feb 6. PMID: 30876569. 19: Jeong Y, Han B, Tamayo A, Claes N, Bals S, Samorì P. Defect Engineering of MoTe2 via Thiol Treatment for Type III van der Waals Heterojunction Phototransistor. ACS Nano. 2024 Jul 16;18(28):18334-18343. doi: 10.1021/acsnano.4c02207. Epub 2024 Jul 3. PMID: 38960378; PMCID: PMC11256742. 20: Fleck M, Darouich S, Hansen N, Gross J. TAMie Force Field for Alkanethiols: Multifidelity Gaussian Processes for Dealing with Scarce Experimental Data. J Phys Chem B. 2024 Oct 3;128(39):9544-9552. doi: 10.1021/acs.jpcb.4c04456. Epub 2024 Sep 18. PMID: 39292815.