Basic information
- CAS
19492-96-7- Standard SMILES
CCC(=O)c1csc2ccccc12- InChIKey
BDKKZGURYJJGIU-UHFFFAOYSA-N- Molecular formula
- C11H10OS
- Average molar mass
- 190.26 g/mol
- Monoisotopic mass
- 190.04523611
Names & identifiers
- Preferred name
- 1-(1-Benzothiophen-3-yl)propan-1-one
- IUPAC
- 1-(1-benzothiophen-3-yl)propan-1-one
- English name
- 3-Propionylbenzo(b)thiophene
- Molecular formula
- C11H10OS
- Molecular weight
- 190.26
Names & synonyms
19492-96-71-(1-benzothiophen-3-yl)propan-1-one1-Propanone,1-benzo[b]thien-3-yl-NSC 80395NSC80395SCHEMBL7540393DTXSID802921231-Benzo[b]thien-3-yl-1-propanoneNSC-80395DS-0086503-Propionylbenzo(b)thiophene1-Propanone, 1-benzo[b]thien-3-yl-
Show more names
1-(benzo[b]thiophen-3-yl)propan-1-one
Database identifiers
- CAS
19492-96-7- PubChem CID
- 255141
- DTXSID
DTXSID80292123
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 78 · 78-79 °C
- Boiling point
- 317.5 · 317.5±15.0 °C(Predicted)
- Density
- 1.181 · 1.181±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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