Basic information
- CAS
17643-64-0- Standard SMILES
CCSC(=O)NC1CCCC[C@@H]1Cl- InChIKey
SCRPTDDKWJMCPI-JAMMHHFISA-N- Molecular formula
- C9H16ClNOS
- Average molar mass
- 221.75 g/mol
- Monoisotopic mass
- 221.064113
Names & identifiers
- Preferred name
- S-Ethyl 2-chlorocyclohexylthiocarbamate
- IUPAC
- S-ethyl N-[(2S)-2-chlorocyclohexyl]carbamothioate
- English name
- SALOR-INT L498521-1EA
- Molecular formula
- C9H16ClNOS
- Molecular weight
- 221.75
Names & synonyms
S-ETHYL 2-CHLOROCYCLOHEXYLTHIOCARBAMATERefChem:88422217643-64-0658-351-6SALOR-INT L498521-1EA
Database identifiers
- CAS
17643-64-0- PubChem CID
- 18529331
- EC Number
- 658-351-6
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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