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Basic information
- Standard SMILES
CC(=NN=C(N)SC(=O)c1ccc([N+](=O)[O-])o1)C1CC1- InChIKey
GJRCBTWTSXSUDN-UHFFFAOYSA-N- Molecular formula
- C11H12N4O4S
- Average molar mass
- 296.3 g/mol
- Monoisotopic mass
- 296.05792605
Names & identifiers
- Preferred name
- S-[N'-(1-cyclopropylethylideneamino)carbamimidoyl] 5-nitrofuran-2-carbothioate
- IUPAC
- S-[N'-(1-cyclopropylethylideneamino)carbamimidoyl] 5-nitrofuran-2-carbothioate
Database identifiers
- PubChem CID
- 352191
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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