Basic information
- Standard SMILES
COC(=N[N+](=O)[O-])NCc1cnc(Cl)s1- InChIKey
ISCSLLYFEKZHOV-UHFFFAOYSA-N- Molecular formula
- C6H7ClN4O3S
- Average molar mass
- 250.66 g/mol
- Monoisotopic mass
- 249.992739
Names & identifiers
- Preferred name
- O-methyl-N-(2-chloro-5-thiazolylmethyl)-N'-nitroisourea
- IUPAC
- methyl N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N'-nitrocarbamimidate
Names & synonyms
SCHEMBL4655363ISCSLLYFEKZHOV-UHFFFAOYSA-NO-methyl-N-(2-chloro-5-thiazolylmethyl)-N'-nitroisourea
Database identifiers
- PubChem CID
- 136404632
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 259
Related reactions
44 records
Compound notes
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