6,6-Dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylic acid, 95.0%

cas: 172516-41-5 — see every product listed under this CAS number, including other names

6,6-Dimethyl-3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carboxylic acid, 95.0% (CAS 172516-41-5) is a chemical reagent available from Chemat. Available pack sizes: 1g. Offered by: Fluorochem.

brand	Fluorochem
catalog number	F017283-1G
cas	172516-41-5
size	1g

Documents: Safety Data Sheet (MSDS)

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• 2D
• 3D

6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid is a thiophenecarboxylic acid.

Source: ChEBI

Identity

Molecular formula	C12H14O3S2
Molecular weight	270.4 g/mol
IUPAC name	6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid
InChIKey	XOXHNCQEJNHCDW-UHFFFAOYSA-N
SMILES	CC1(CC2=C(SC(=C2C(=O)C1)SC)C(=O)O)C

Computed by PubChem (NCBI)

Synonyms: XOXHNCQEJNHCDW-UHFFFAOYSA-N, 6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid

Isomers (same molecular formula)

2-[4-(1,3-dithian-2-yl)phenoxy]acetic acid C₁₂H₁₄O₃S₂

ethyl 3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylate C₁₂H₁₄O₃S₂

ethyl 2-(4-methoxybenzenecarbothioyl)sulfanylacetate C₁₂H₁₄O₃S₂

ethyl 2-phenoxycarbothioylsulfanylpropanoate C₁₂H₁₄O₃S₂