Ethyl (2-cyclohexylethyl)carbamodithioate
Basic information
- CAS
72594-00-4- Standard SMILES
CCSC(=S)NCCC1CCCCC1- InChIKey
UGAIBHBGOIFADL-UHFFFAOYSA-N- Molecular formula
- C11H21NS2
- Average molar mass
- 231.4 g/mol
- Monoisotopic mass
- 231.11154202
Names & identifiers
- Preferred name
- Ethyl (2-cyclohexylethyl)carbamodithioate
- IUPAC
- ethyl N-(2-cyclohexylethyl)carbamodithioate
Names & synonyms
72594-00-4Ethyl (2-cyclohexylethyl)carbamodithioateDTXSID10823181
Database identifiers
- CAS
72594-00-4- PubChem CID
- 71402192
- DTXSID
DTXSID10823181
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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