N'-(N-(2-chloroethyl)-N-nitroso)carbamoylcysteamine

HCID 128985CAS 90213-06-2
Substructure searchFind similar structures

Basic information

Standard SMILES
O=NN(CCCl)C(=O)NCCS
InChIKey
YQGUBTDSVOSHEL-UHFFFAOYSA-N
Molecular formula
C5H10ClN3O2S
Average molar mass
211.67 g/mol
Monoisotopic mass
211.01822524

Overview

structure given in first source

Names & identifiers

Preferred name
N'-(N-(2-chloroethyl)-N-nitroso)carbamoylcysteamine
IUPAC
1-(2-chloroethyl)-1-nitroso-3-(2-sulfanylethyl)urea
English name
N'-(N-(2-chloroethyl)-N-nitroso)carbamoylcysteamine
Molecular weight
0

Names & synonyms

Cnc-cysteamine90213-06-2DTXSID60238064N'-(N-(2-Chloroethyl)-N-nitroso)carbamoylcysteamineN-(2-Chloroethyl)-N'-(2-mercaptoethyl)-N-nitrosoureaRefChem:160566DTXCID80160555Urea, N-(2-chloroethyl)-N'-(2-mercaptoethyl)-N-nitroso-1-(2-chloroethyl)-1-nitroso-3-(2-sulfanylethyl)ureaSCHEMBL9856483N-(2-Chloroethyl)-N-nitroso-N'-(2-sulfanylethyl)urea

Database identifiers

CAS
90213-06-2
PubChem CID
128985
DTXSID
DTXSID60238064

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
62.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
12

Related reactions

0 records
New reaction record

No reaction records under the current filter.

Linked notes

Loading…