Basic information
- CAS
66929-50-8- Standard SMILES
O=NN(CCSCCCl)C(=O)NC1CCCCC1- InChIKey
KJRPCFPUAWNDAQ-UHFFFAOYSA-N- Molecular formula
- C11H20ClN3O2S
- Average molar mass
- 293.81 g/mol
- Monoisotopic mass
- 293.0964758
Overview
See also: Fatty acids, C16-18, 2-hydroxyethyl esters (annotation moved to).
Names & identifiers
- Preferred name
- 1-(2-((2-Chloroethyl)thio)ethyl)-3-cyclohexyl-1-nitrosourea
- IUPAC
- 1-[2-(2-chloroethylsulfanyl)ethyl]-3-cyclohexyl-1-nitrosourea
Names & synonyms
66929-50-81-(2-((2-Chloroethyl)thio)ethyl)-3-cyclohexyl-1-nitrosoureaNSC292684NSC 292684NCIMech_000503Polyethyleneglycol distearateCHEMBL166901DTXSID10217081CCG-35697NSC-292684NCI60_002414PD011469
Show more names
N-{2-[(2-Chloroethyl)sulfanyl]ethyl}-N'-cyclohexyl-N-nitrosoureaUrea, N-[2-[(2-chloroethyl)thio]ethyl]-N'-cyclohexyl-N-nitroso-97281-23-7
Database identifiers
- CAS
66929-50-8- PubChem CID
- 325087
- DTXSID
DTXSID10217081- ChEMBL
CHEMBL166901
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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