Basic information
- CAS
16587-41-0- Standard SMILES
Cc1csc2c(C)cccc12- InChIKey
YFVIULBUVVXJQI-UHFFFAOYSA-N- Molecular formula
- C10H10S
- Average molar mass
- 162.25 g/mol
- Monoisotopic mass
- 162.05032149
Names & identifiers
- Preferred name
- Benzo[b]thiophene, 3,7-dimethyl-
- IUPAC
- 3,7-dimethyl-1-benzothiophene
- English name
- 3,7-Dimethylbenzo[b]thiophene
- Molecular formula
- C10H10S
- Molecular weight
- 162.25
Names & synonyms
3,7-DimethylbenzothiopheneBenzo[b]thiophene, 3,7-dimethyl-Benzo(b)thiophene, 3,7-dimethyl-DTXSID5066085RefChem:565217DTXCID00353263,7-Dimethylbenzo[b]thiophene16587-41-03,7-dimethyl-1-benzothiopheneBenzothiophene, 3,7-dimethylSCHEMBL5539123SCHEMBL8404365
Show more names
MFCD18451795SY417967
Database identifiers
- CAS
16587-41-0- PubChem CID
- 85503
- DTXSID
DTXSID5066085- Nikkaji
- J421.973B
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
Physicochemical properties
- Melting point
- 30 · 30-31 °C
- Boiling point
- 122 · 122-124 °C(Press: 12 Torr)
- Density
- 1.114 · 1.114±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 3 · Benzo[b]thiophene, 3,7-dimethyl- (16587-41-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzo[b]thiophene, 3,7-dimethyl-: INACTIVE
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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