Basic information
- Standard SMILES
N#CSc1ccc2nc(NC(=O)Oc3ccccc3)sc2c1- InChIKey
ZKBFVQGSCTZQMY-UHFFFAOYSA-N- Molecular formula
- C15H9N3O2S2
- Average molar mass
- 327.4 g/mol
Names & identifiers
- Preferred name
- Phenyl(6-thiocyanato-1,3-benzothiazol-2-yl)carbamate
- IUPAC
- phenyl N-(6-thiocyanato-1,3-benzothiazol-2-yl)carbamate
Names & synonyms
SCHEMBL12280273ZKBFVQGSCTZQMY-UHFFFAOYSA-Nphenyl(6-thiocyanato-1,3-benzothiazol-2-yl)carbamatephenyl (6-thiocyanato-1,3-benzothiazol-2-yl)carbamate
Database identifiers
- PubChem CID
- 53472570
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 447
Related reactions
11 records
Compound notes
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