Basic information
- CAS
18283-60-8- Standard SMILES
C=C(Cl)CSC(=O)N(CC)CC- InChIKey
YJKLHIADBKEDKS-UHFFFAOYSA-N- Molecular formula
- C8H14ClNOS
- Average molar mass
- 207.72 g/mol
- Monoisotopic mass
- 207.0484629
Names & identifiers
- Preferred name
- Diethylthiocarbamic acid S-2-chloroallyl ester
- IUPAC
- S-(2-chloroprop-2-enyl) N,N-diethylcarbamothioate
Names & synonyms
Diethylthiocarbamic acid S-2-chloroallyl ester18283-60-8BRN 1772270CARBAMIC ACID, DIETHYLTHIO-, S-2-CHLOROALLYL ESTER2-Chloroallyl N,N-diethyl thiolcarbamate4-04-00-00387 (Beilstein Handbook Reference)SCHEMBL6304971DTXSID00171345S-(2-Chloroprop-2-en-1-yl) diethylcarbamothioate
Database identifiers
- CAS
18283-60-8- PubChem CID
- 29018
- DTXSID
DTXSID00171345- Nikkaji
- J67.576H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 168
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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