Basic information
- Standard SMILES
COC(=O)c1ccc(NC(=S)NN)cc1[N+](=O)[O-]- InChIKey
OWUWWCHKTLMCCY-UHFFFAOYSA-N- Molecular formula
- C9H10N4O4S
- Average molar mass
- 270.27 g/mol
Names & identifiers
- Preferred name
- Methyl 4-hydrazinocarbonothioylamino-2-nitrobenzoate
- IUPAC
- methyl 4-(aminocarbamothioylamino)-2-nitrobenzoate
Names & synonyms
SCHEMBL1482865OWUWWCHKTLMCCY-UHFFFAOYSA-Nmethyl 4-hydrazinocarbonothioylamino-2-nitrobenzoate
Database identifiers
- PubChem CID
- 86014590
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 346
Related reactions
9 records
Compound notes
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