2,5,7-Trimethyl-1-benzothiophene
Basic information
- CAS
16587-65-8- Standard SMILES
Cc1cc(C)c2sc(C)cc2c1- InChIKey
PNEAISMECMOVFA-UHFFFAOYSA-N- Molecular formula
- C11H12S
- Average molar mass
- 176.28 g/mol
- Monoisotopic mass
- 176.06597156
Names & identifiers
- Preferred name
- 2,5,7-Trimethyl-1-benzothiophene
- IUPAC
- 2,5,7-trimethyl-1-benzothiophene
- English name
- 2,5,7-Trimethylbenzothiophene
- Molecular formula
- C11H12S
- Molecular weight
- 176.28
Names & synonyms
16587-65-82,5,7-Trimethyl-1-benzothiophene2,5,7-Trimethylbenzo[b]thiophene2,5,7-TRIMETHYLBENZOTHIOPHENEBenzo[b]thiophene, 2,5,7-trimethyl-SCHEMBL1444492,5,7-trimethyl benzothiopheneDTXSID60344952Benzothiophene, 2,5,7-trimethylPNEAISMECMOVFA-UHFFFAOYSA-N2,5,7-Trimethyl-1-benzothiophene #AKOS006274447
Show more names
2,5,7-Trimethylbenzothiophene in isooctane
Database identifiers
- CAS
16587-65-8- PubChem CID
- 600669
- DTXSID
DTXSID60344952- Nikkaji
- J114.055H
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 166
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Compound notes
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