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
- Formal charge
- 0
- Complexity
- 299
Related reactions
10 records
Linked notes
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