Basic information
- Standard SMILES
N#CSc1ccc([N+](=O)[O-])c(N)c1- InChIKey
NCBWZAKJAXARDR-UHFFFAOYSA-N- Molecular formula
- C7H5N3O2S
- Average molar mass
- 195.2 g/mol
Names & identifiers
- Preferred name
- 3-Amino-4-nitrophenyl thiocyanate
- IUPAC
- (3-amino-4-nitrophenyl) thiocyanate
Names & synonyms
SCHEMBL6142843-amino-4-nitrophenyl thiocyanateNCBWZAKJAXARDR-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 86647875
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 244
Related reactions
3 records
Compound notes
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