Basic information
- CAS
223787-81-3- Standard SMILES
CN(C)C(=O)Oc1c(/C=C/C2=CCCCCC2)sc2ccccc12- InChIKey
UONGBAKTXJNUGV-BUHFOSPRSA-N- Molecular formula
- C20H23NO2S
- Average molar mass
- 341.5 g/mol
Names & identifiers
- Preferred name
- Dimethylcarbamic acid 2-[2-(1-cycloheptenyl)ethenyl]benzo[b]thiophene-3-yl ester
- IUPAC
- [2-[(E)-2-(cyclohepten-1-yl)ethenyl]-1-benzothiophen-3-yl] N,N-dimethylcarbamate
- English name
- 2-[2-(1-cyclohepten-1-yl)vinyl]-1-benzothien-3-yl dimethylcarbamate
- Molecular formula
- C20H23NO2S
- Molecular weight
- 341.47
Names & synonyms
[2-[(E)-2-(cyclohepten-1-yl)ethenyl]-1-benzothiophen-3-yl] N,N-dimethylcarbamateDimethylcarbamic acid 2-[2-(1-cycloheptenyl)ethenyl]benzo[b]thiophene-3-yl esterAK-928/141020032-[2-(1-cyclohepten-1-yl)vinyl]-1-benzothien-3-yl dimethylcarbamate
Database identifiers
- CAS
223787-81-3- Nikkaji
- J1.087.833K
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 500
Physicochemical properties
- Boiling point
- 504.268 · 504.268±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.226 · 1.226±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.482 · -1.482±0.70(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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