Basic information
- CAS
33022-04-7- Standard SMILES
O=NN(CCCl)C(=O)NC1CSCSC1- InChIKey
LONJSZKHAGAXPS-UHFFFAOYSA-N- Molecular formula
- C7H12ClN3O2S2
- Average molar mass
- 269.8 g/mol
- Monoisotopic mass
- 269.0059467
Names & identifiers
- Preferred name
- Urea, 1-(2-chloroethyl)-3-(m-dithian-5-yl)-1-nitroso-
- IUPAC
- 1-(2-chloroethyl)-3-(1,3-dithian-5-yl)-1-nitrosourea
- English name
- N-(2-Chloroethyl)-N-nitroso-N'-(1,3-dithian-5-yl)urea
- Molecular formula
- C7H12ClN3O2S2
- Molecular weight
- 269.77
Names & synonyms
33022-04-7Urea, 1-(2-chloroethyl)-3-(m-dithian-5-yl)-1-nitroso-NSC-128303N-(2-Chloroethyl)-N'-1,3-dithian-5-yl-N-nitrosoureaUrea, N-(2-chloroethyl)-N'-1,3-dithian-5-yl-N-nitroso-BRN 1432136NSC 128,303NSC1283031-(2-Chloroethyl)-3-(m-dithian-5-yl)-1-nitrosoureaCHEMBL12689DTXSID00186676Urea,3-dithian-5-yl-N-nitroso-
Show more names
N-(2-Chloroethyl)-N-nitroso-N'-(1,3-dithian-5-yl)urea
K5UD68A992Urea, N-(2-chloroethyl)-N'-1,3-dithian-5-yl-N-nitroso- (9CI)N-(2-Chloroethyl)-N'-(1,3-dithian-5-yl)-N-nitrosourea
Database identifiers
- CAS
33022-04-7- PubChem CID
- 97505
- DTXSID
DTXSID00186676- ChEMBL
CHEMBL12689- UNII
- K5UD68A992
- Nikkaji
- J54.240G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 226
Experimental & physicochemical properties
LogP2.08
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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