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MedKoo Cat#: 571480 | Name: Mercaptobenzothiazole

Description:

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

Mercaptobenzothiazole is an organosulfuric compound used in rubber vulcanization. It has been classified as a human carcinogen.

Chemical Structure

Mercaptobenzothiazole
CAS#149-30-4

Theoretical Analysis

MedKoo Cat#: 571480

Name: Mercaptobenzothiazole

CAS#: 149-30-4

Chemical Formula: C7H5NS2

Exact Mass: 166.9863

Molecular Weight: 167.24

Elemental Analysis: C, 50.27; H, 3.01; N, 8.38; S, 38.34

Price and Availability

Size Price Availability Quantity
5g USD 168.00
100g USD 275.00
1kg USD 500.00
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Related CAS #
149-30-4 (free) 2492-26-4 (Na)
Synonym
Mercaptobenzothiazole; Dermacid; Captax
IUPAC/Chemical Name
2(3H)-Benzothiazolethione
InChi Key
YXIWHUQXZSMYRE-UHFFFAOYSA-N
InChi Code
InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
SMILES Code
S=C1SC2=CC=CC=C2N1
Appearance
Solid powder
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
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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

Preparing Stock Solutions

The following data is based on the product molecular weight 167.24 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.

Recalculate based on batch purity %
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: Jing P, Hou M, Zhao P, Tang X, Wan H. Adsorption of 2-mercaptobenzothiazole from aqueous solution by organo-bentonite. J Environ Sci (China). 2013 Jun 1;25(6):1139-44. PubMed PMID: 24191603. 2: Avagyan R, Sadiktsis I, Bergvall C, Westerholm R. Tire tread wear particles in ambient air--a previously unknown source of human exposure to the biocide 2-mercaptobenzothiazole. Environ Sci Pollut Res Int. 2014 Oct;21(19):11580-6. doi: 10.1007/s11356-014-3131-1. Epub 2014 Jun 11. PubMed PMID: 25028318. 3: Parham H, Pourreza N, Marahel F. Resonance Rayleigh scattering method for determination of 2-mercaptobenzothiazole using gold nanoparticles probe. Spectrochim Acta A Mol Biomol Spectrosc. 2015;151:308-14. doi: 10.1016/j.saa.2015.06.108. Epub 2015 Jun 29. PubMed PMID: 26143323. 4: Bekanntmachung des Umweltbundesamtes. [A Study of 2-Mercaptobenzothiazole (2-MBT) and HBM values for 2-MBT in the urine of adults and children: Opinion of the "Human Biomonitoring" Commission of the German Federal Environment Agency]. Bundesgesundheitsblatt Gesundheitsforschung Gesundheitsschutz. 2015 Sep;58(9):1027-40. doi: 10.1007/s00103-015-2212-8. German. PubMed PMID: 26293219. 5: Serdechnova M, Ivanov VL, Domingues MR, Evtuguin DV, Ferreira MG, Zheludkevich ML. Photodegradation of 2-mercaptobenzothiazole and 1,2,3-benzotriazole corrosion inhibitors in aqueous solutions and organic solvents. Phys Chem Chem Phys. 2014 Dec 7;16(45):25152-60. doi: 10.1039/c4cp03867c. PubMed PMID: 25331374. 6: Gries W, Küpper K, Leng G. Rapid and sensitive LC-MS-MS determination of 2-mercaptobenzothiazole, a rubber additive, in human urine. Anal Bioanal Chem. 2015 May;407(12):3417-23. doi: 10.1007/s00216-015-8533-5. Epub 2015 Feb 21. PubMed PMID: 25701422. 7: Rajasekharan-Nair R, Moore D, Kennedy AR, Reglinski J, Spicer MD. The stability of mercaptobenzothiazole based soft scorpionate complexes. Inorg Chem. 2014 Oct 6;53(19):10276-82. doi: 10.1021/ic5013236. Epub 2014 Sep 10. PubMed PMID: 25208010. 8: Garate J, Fernández R, Lage S, Bestard-Escalas J, Lopez DH, Reigada R, Khorrami S, Ginard D, Reyes J, Amengual I, Barceló-Coblijn G, Fernández JA. Imaging mass spectrometry increased resolution using 2-mercaptobenzothiazole and 2,5-diaminonaphtalene matrices: application to lipid distribution in human colon. Anal Bioanal Chem. 2015 Jun;407(16):4697-708. doi: 10.1007/s00216-015-8673-7. Epub 2015 Apr 23. PubMed PMID: 25903024. 9: Bao Q, Chen L, Tian J, Wang J. Gamma irradiation of 2-mercaptobenzothiazole aqueous solution in the presence of persulfate. J Environ Sci (China). 2016 Aug;46:252-8. doi: 10.1016/j.jes.2016.01.019. Epub 2016 Mar 10. PubMed PMID: 27521957. 10: Mir F, Shafi S, Zaman MS, Kalia NP, Rajput VS, Mulakayala C, Mulakayala N, Khan IA, Alam MS. Sulfur rich 2-mercaptobenzothiazole and 1,2,3-triazole conjugates as novel antitubercular agents. Eur J Med Chem. 2014 Apr 9;76:274-83. doi: 10.1016/j.ejmech.2014.02.017. Epub 2014 Feb 11. PubMed PMID: 24589483. 11: Koyama D, Orr-Ewing AJ. Triplet state formation and quenching dynamics of 2-mercaptobenzothiazole in solution. Phys Chem Chem Phys. 2016 Sep 21;18(37):26224-26235. PubMed PMID: 27722293. 12: LeFevre GH, Portmann AC, Müller CE, Sattely ES, Luthy RG. Plant Assimilation Kinetics and Metabolism of 2-Mercaptobenzothiazole Tire Rubber Vulcanizers by Arabidopsis. Environ Sci Technol. 2016 Jul 5;50(13):6762-71. doi: 10.1021/acs.est.5b04716. Epub 2016 Jan 8. PubMed PMID: 26698834. 13: Ho Y. Comments on "Adsorption of 2-mercaptobenzothiazole from aqueous solution by organo-bentonite" by P. Jing, M.H. Hou, P. Zhao, X.Y. Tang, H.F. Wan. J Environ Sci (China). 2014 Dec 1;26(12):2571-2. doi: 10.1016/j.jes.2014.05.029. Epub 2014 Oct 22. PubMed PMID: 25499506. 14: Zengin A, Tamer U, Caykara T. Extremely sensitive sandwich assay of kanamycin using surface-enhanced Raman scattering of 2-mercaptobenzothiazole labeled gold@silver nanoparticles. Anal Chim Acta. 2014 Mar 19;817:33-41. doi: 10.1016/j.aca.2014.01.042. Epub 2014 Jan 30. PubMed PMID: 24594815. 15: Chao S, Guo W. Using 2-mercaptobenzothiazole as a nitrogen and sulfur precursor to synthesize highly active Co-N-S/C electrocatalysts for oxygen reduction. Anal Sci. 2013;29(6):619-23. PubMed PMID: 23749127. 16: Chen X, Ji L, Zhou Y, Wu K. Synergetic enhancement of gold nanoparticles and 2-mercaptobenzothiazole as highly-sensitive sensing strategy for tetrabromobisphenol A. Sci Rep. 2016 May 17;6:26044. doi: 10.1038/srep26044. PubMed PMID: 27185629; PubMed Central PMCID: PMC4868994. 17: Xanthopoulou MN, Hadjikakou SK, Hadjiliadis N, Schürmann M, Jurkschat K, Michaelides A, Skoulika S, Bakas T, Binolis J, Karkabounas S, Charalabopoulos K. Synthesis, structural characterization and in vitro cytotoxicity of organotin(IV) derivatives of heterocyclic thioamides, 2-mercaptobenzothiazole, 5-chloro-2-mercaptobenzothiazole, 3-methyl-2-mercaptobenzothiazole and 2-mercaptonicotinic acid. J Inorg Biochem. 2003 Aug 1;96(2-3):425-34. PubMed PMID: 12888279. 18: Warshaw EM, Raju SI, Mathias CG, DeKoven JG, Belsito DV, Maibach HI, Taylor JS, Sasseville D, Zug KA, Zirwas MJ, Fowler JF Jr, DeLeo VA, Marks JG Jr, Pratt MD, Storrs FJ. Concomitant patch test reactions to mercapto mix and mercaptobenzothiazole: retrospective analysis from the North American Contact Dermatitis Group, 1994-2008. Dermatitis. 2013 Nov-Dec;24(6):321-7. doi: 10.1097/DER.0b013e3182a8c1ab. PubMed PMID: 24201467. 19: Tietge JE, Degitz SJ, Haselman JT, Butterworth BC, Korte JJ, Kosian PA, Lindberg-Livingston AJ, Burgess EM, Blackshear PE, Hornung MW. Inhibition of the thyroid hormone pathway in Xenopus laevis by 2-mercaptobenzothiazole. Aquat Toxicol. 2013 Jan 15;126:128-36. doi: 10.1016/j.aquatox.2012.10.013. Epub 2012 Oct 29. PubMed PMID: 23178179. 20: Azam MA, Suresh B. Biological activities of 2-mercaptobenzothiazole derivatives: a review. Sci Pharm. 2012 Oct-Dec;80(4):789-823. doi: 10.3797/scipharm.1204-27. Epub 2012 Jun 18. PubMed PMID: 23264933; PubMed Central PMCID: PMC3528053.

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