N-(2-Mercaptoethyl)-N'-methyl-2-nitro-1,1-ethenediamine

HCID 181798
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Basic information

Standard SMILES
CNC(=C[N+](=O)[O-])NCCS
InChIKey
JZCXCGRGVDXRDQ-UHFFFAOYSA-N
Molecular formula
C5H11N3O2S
Average molar mass
177.23 g/mol

Names & identifiers

Preferred name
N-(2-Mercaptoethyl)-N'-methyl-2-nitro-1,1-ethenediamine
IUPAC
2-[[1-(methylamino)-2-nitroethenyl]amino]ethanethiol

Names & synonyms

SCHEMBL6816663JZCXCGRGVDXRDQ-UHFFFAOYSA-NIM1831812-{[1-(methylamino)-2-nitroethenyl]amino}ethanethiolN-(2-Mercaptoethyl)-N'-methyl-2-nitro-1,1-ethenediamine

Database identifiers

PubChem CID
181798

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
70.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
11

Related reactions

11 records
New reaction record

Linked notes

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