Basic information
- Standard SMILES
N=c1sc2ccccc2n1Cc1ccccc1- InChIKey
HEHNGGKJGNBCKU-UHFFFAOYSA-N- Molecular formula
- C14H12N2S
- Average molar mass
- 240.33 g/mol
Names & identifiers
- Preferred name
- 3-Benzyl-2-iminobenzothiazole
- IUPAC
- 3-benzyl-1,3-benzothiazol-2-imine
Names & synonyms
Oprea1_3669703-benzyl-2-iminobenzothiazoleCHEMBL372739SCHEMBL9161101HEHNGGKJGNBCKU-UHFFFAOYSA-N3-benzyl-1,3-benzothiazol-2(3H)-imine
Database identifiers
- PubChem CID
- 677566
- ChEMBL
CHEMBL372739- Nikkaji
- J1.588.023F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 286
Related reactions
2 records
Compound notes
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