Basic information
- CAS
30027-44-2- Standard SMILES
Cc1cccc2scc(C)c12- InChIKey
JJKNUCHFWIZBIA-UHFFFAOYSA-N- Molecular formula
- C10H10S
- Average molar mass
- 162.25 g/mol
- Monoisotopic mass
- 162.05032149
Names & identifiers
- Preferred name
- Benzo(b)thiophene, dimethyl-
- IUPAC
- 3,4-dimethyl-1-benzothiophene
Names & synonyms
Benzo(b)thiophene, dimethyl-30027-44-23,4-dimethyl-1-benzothiopheneDimethylbenzo(b)thiophene3,4-Dimethylbenzo[b]thiopheneBenzothiophene, 3,4-dimethylSCHEMBL3530340SCHEMBL8404359SCHEMBL17140136DTXSID20184098JJKNUCHFWIZBIA-UHFFFAOYSA-N
Database identifiers
- CAS
30027-44-2- PubChem CID
- 34778
- DTXSID
DTXSID20184098- Nikkaji
- J2.484.682B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 144
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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