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Basic information
- CAS
3133-88-8- Standard SMILES
Cc1c(CO)sc2ccccc12- InChIKey
TXZSDWAGMTULKT-UHFFFAOYSA-N- Molecular formula
- C10H10OS
- Average molar mass
- 178.25 g/mol
- Monoisotopic mass
- 178.04523594
Names & identifiers
- Preferred name
- 3-Methylbenzo(b)thiophene-2-methanol
- IUPAC
- (3-methyl-1-benzothiophen-2-yl)methanol
Names & synonyms
3133-88-83-Methylbenzo[b]thiophene-2-methanol3-Methylbenzo(b)thiophene-2-methanolRefChem:281050(3-Methyl-1-benzothiophen-2-yl)methanol(3-methylbenzo[b]thiophen-2-yl)methanol2-Hydroxymethyl-3-methylbenzothiopheneSCHEMBL5860853-Methylbenzothiophene-2-methanolDTXSID301289997AKOS006278165(3-Methyl-1-benzothien-2-yl)methanol #
Show more names
Benzo[b]thiophene-2-methanol, 3-methyl-(3-Methyl-benzo[b]thiophen-2-yl)-methanolDB-120520
Database identifiers
- CAS
3133-88-8- PubChem CID
- 601293
- DTXSID
DTXSID301289997
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Related reactions
4 records
Compound notes
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