Urea, N-(2-((2-chloroethyl)sulfinyl)ethyl)-N'-cyclohexyl-N-nitroso-
Basic information
- CAS
73944-54-4- Standard SMILES
O=NN(CCS(=O)CCCl)C(=O)NC1CCCCC1- InChIKey
NAWRBSFXUOCDCQ-UHFFFAOYSA-N- Molecular formula
- C11H20ClN3O3S
- Average molar mass
- 309.81 g/mol
- Monoisotopic mass
- 309.0913904
Names & identifiers
- Preferred name
- Urea, N-(2-((2-chloroethyl)sulfinyl)ethyl)-N'-cyclohexyl-N-nitroso-
- IUPAC
- 1-[2-(2-chloroethylsulfinyl)ethyl]-3-cyclohexyl-1-nitrosourea
Names & synonyms
73944-54-4NSC321528NSC 321528Urea, N-(2-((2-chloroethyl)sulfinyl)ethyl)-N'-cyclohexyl-N-nitroso-CHEMBL165376NSC-321528
Database identifiers
- CAS
73944-54-4- PubChem CID
- 100575
- ChEMBL
CHEMBL165376
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
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Compound notes
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