Basic information
- CAS
116903-87-8- Standard SMILES
S=c1ccn(CCCl)cc1- InChIKey
RVQRHUFCEDASPE-UHFFFAOYSA-N- Molecular formula
- C7H8ClNS
- Average molar mass
- 173.66 g/mol
- Monoisotopic mass
- 173.0065981
Names & identifiers
- Preferred name
- 1-(2-chloroethyl)pyridine-4(1H)-thione
- IUPAC
- 1-(2-chloroethyl)pyridine-4-thione
Names & synonyms
1-(2-chloroethyl)pyridine-4(1H)-thioneDTXSID901274968116903-87-84(1H)-Pyridinethione, 1-(2-chloroethyl)-
Database identifiers
- CAS
116903-87-8- PubChem CID
- 85566522
- DTXSID
DTXSID901274968
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…