Basic information
- CAS
931398-08-2- Standard SMILES
N#CC1CC2CC(S)C1C2- InChIKey
YPGDNPCARWBHPI-UHFFFAOYSA-N- Molecular formula
- C8H11NS
- Average molar mass
- 153.25 g/mol
Names & identifiers
- Preferred name
- 6-Sulfanylbicyclo[2.2.1]heptane-2-carbonitrile
- IUPAC
- 6-sulfanylbicyclo[2.2.1]heptane-2-carbonitrile
- English name
- Bicyclo[2.2.1]heptane-2-carbonitrile, 6-mercapto-
- Molecular formula
- C8H11NS
- Molecular weight
- 153.24
Names & synonyms
Bicyclo[2.2.1]heptane-2-carbonitrile, 6-mercapto-
Database identifiers
- CAS
931398-08-2
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 287 · 287.0±23.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 10.12 · 10.12±0.40(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…