1-Nitro-2-methylamino-2-[2-((4-bromo-5-imidazolyl)methylthio)ethylamino]ethylene

HCID 70544005

Basic information

Standard SMILES
CNC(=C[N+](=O)[O-])NCCSCc1[nH]cnc1Br
InChIKey
XBGOVNFGVAZVTR-UHFFFAOYSA-N
Molecular formula
C9H14BrN5O2S
Average molar mass
336.21 g/mol

Names & identifiers

Preferred name
1-Nitro-2-methylamino-2-[2-((4-bromo-5-imidazolyl)methylthio)ethylamino]ethylene
IUPAC
1-N'-[2-[(4-bromo-1H-imidazol-5-yl)methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine

Names & synonyms

SCHEMBL11234401XBGOVNFGVAZVTR-UHFFFAOYSA-N1-nitro-2-methylamino-2-[2-((4-bromo-5-imidazolyl)methylthio)ethylamino] ethylene1-nitro-2-methylamino-2-[2-((4-bromo-5-imidazolyl)methylthio)ethylamino]ethylene

Database identifiers

PubChem CID
70544005

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
124 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
18

Related reactions

10 records

Linked notes

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