3-Methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid

Base Information

• Chemical Name: 3-Methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid
• CAS No.: 175202-54-7
• Molecular Formula: C10H10 O2 S2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID70375010
• Wikidata: Q82163562
• Mol file: 175202-54-7.mol

Synonyms:175202-54-7;3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid;4,5-DIHYDRO-1-(METHYLTHIO)BENZO(C)THIOPHENE-3-CARBOXYLIC ACID;Oprea1_062660;SCHEMBL4398443;DTXSID70375010;NSQNHJRGWHJONB-UHFFFAOYSA-N;Benzo[c]thiophene-1-carboxylicacid, 6,7-dihydro-3-(methylthio)-;4,5-DIHYDRO-1-(METHYLTHIO)BENZO(C)THIOPHENE-3-CARBOXYLICACID

Chemical Property of 3-Methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylic acid

Chemical Property:

• PSA: 90.84000
• LogP: 3.12760
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 226.01222190
• Heavy Atom Count: 14
• Complexity: 265

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=C2C=CCCC2=C(S1)C(=O)O

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