MedKoo Cat#: 558472 | Name: 2-Acetylthiophene
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Description:

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

2-Acetylthiophene is a fragrance agent. It has a sulfurous type odor and an onion type flavor.

Chemical Structure

2-Acetylthiophene
2-Acetylthiophene
CAS#88-15-3

Theoretical Analysis

MedKoo Cat#: 558472

Name: 2-Acetylthiophene

CAS#: 88-15-3

Chemical Formula: C6H6OS

Exact Mass: 126.0100

Molecular Weight: 126.17

Elemental Analysis: C, 57.12; H, 4.79; O, 12.68; S, 25.41

Price and Availability

Size Price Availability Quantity
5g USD 250.00 2 Weeks
25g USD 550.00 2 Weeks
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Related CAS #
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Synonym
2-Acetylthiophene; 2 Acetylthiophene; 2Acetylthiophene; 1-(2-Thienyl)ethanone; 2-Acetothienone; 2-Acetothiophene; Acetylthiophene;
IUPAC/Chemical Name
Ethanone, 1-(2-thienyl)-
InChi Key
WYJOVVXUZNRJQY-UHFFFAOYSA-N
InChi Code
InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
SMILES Code
CC(C1=CC=CS1)=O
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
>3 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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 126.17 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: Neto JL, de Lima GM, Beraldo H. Platinum and palladium complexes of thiosemicarbazones derived of 2-acetylthiophene: Synthesis and spectral studies. Spectrochim Acta A Mol Biomol Spectrosc. 2006 Mar 1;63(3):669-72. Epub 2005 Jul 18. PubMed PMID: 16024282. 2: Thriveni KS, Padmashali B, Siddesh MB, Sandeep C. Synthesis of Pyrimidine Incorporated Piperazine Derivatives and their Antimicrobial Activity. Indian J Pharm Sci. 2014 Jul;76(4):332-8. PubMed PMID: 25284931; PubMed Central PMCID: PMC4171870. 3: Isa IM, Mustafar S, Ahmad M, Hashim N, Ghani SA. Cobalt(II) selective membrane electrode based on palladium(II) dichloro acetylthiophene fenchone azine. Talanta. 2011 Dec 15;87:230-4. doi: 10.1016/j.talanta.2011.10.002. Epub 2011 Oct 10. PubMed PMID: 22099672. 4: Rittner R, Ducati LC, Tormena CF, Fiorin BC, Braga CB. Conformational preferences for some 5-substituted 2-acetylthiophenes through infrared spectroscopy and theoretical calculations. Spectrochim Acta A Mol Biomol Spectrosc. 2011 Sep;79(5):1071-6. doi: 10.1016/j.saa.2011.04.021. Epub 2011 May 26. PubMed PMID: 21620762. 5: Kumar CD, Sirisha K, Dhaked DK, Lokesh P, Sarma AV, Bharatam PV, Kantevari S, Sripadi P. Investigation of anion-π interactions involving thiophene walls incorporated calix[4]pyrroles. J Org Chem. 2015 Feb 6;80(3):1746-53. doi: 10.1021/jo502673c. Epub 2015 Jan 23. PubMed PMID: 25574562. 6: EMERSON WS, PATRICK TM Jr. Some 2-acetylthiophene derivatives and related acetophenone analogs. J Org Chem. 1948 Sep;13(5):722-8. PubMed PMID: 18884418. 7: Fogaça TB, Martins RM, Begnini KR, Carapina C, Ritter M, de Pereira CM, Seixas FK, Collares T. Apoptotic effect of chalcone derivatives of 2-acetylthiophene in human breast cancer cells. Pharmacol Rep. 2017 Feb;69(1):156-161. doi: 10.1016/j.pharep.2016.10.003. Epub 2016 Oct 5. PubMed PMID: 27923159. 8: Kharbanda C, Alam MS, Hamid H, Javed K, Shafi S, Ali Y, Alam P, Pasha MA, Dhulap A, Bano S, Nazreen S, Haider S. Novel benzenesulfonylureas containing thiophenylpyrazoline moiety as potential antidiabetic and anticancer agents. Bioorg Med Chem Lett. 2014 Nov 15;24(22):5298-303. doi: 10.1016/j.bmcl.2014.09.044. Epub 2014 Sep 23. PubMed PMID: 25442322.