Basic information
- CAS
91893-68-4- Standard SMILES
CCCN(CC)S(=O)(=O)CCNC(=O)N(CCCl)N=O- InChIKey
VBYJDSHYVNCROJ-UHFFFAOYSA-N- Molecular formula
- C10H21ClN4O4S
- Average molar mass
- 328.82 g/mol
- Monoisotopic mass
- 328.097204
Names & identifiers
- Preferred name
- Ethanesulfonamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N-ethyl-N-propyl-
- IUPAC
- 1-(2-chloroethyl)-3-[2-[ethyl(propyl)sulfamoyl]ethyl]-1-nitrosourea
Names & synonyms
Ethanesulfonamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N-ethyl-N-propyl-1-(2-Chloroethyl)-3-(2-(N-ethyl-N-propylaminosulfonyl)ethyl)-1-nitrosourea91893-68-4DTXSID202387422-((((2-Chloroethyl)nitrosoamino)carbonyl)amino)-N-ethyl-N-propylethanesulfonamideRefChem:340157DTXCID70161233SCHEMBL108807262-{[(2-Chloroethyl)(nitroso)carbamoyl]amino}-N-ethyl-N-propylethane-1-sulfonamide
Database identifiers
- CAS
91893-68-4- PubChem CID
- 3045374
- DTXSID
DTXSID20238742
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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