3-(Anilinomethyl)-2-benzothiazolinethione
Basic information
- CAS
5332-60-5- Standard SMILES
S=c1sc2ccccc2n1CCNc1ccccc1- InChIKey
OLZIKXIFZSYGQX-UHFFFAOYSA-N- Molecular formula
- C15H14N2S2
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.0598408
Names & identifiers
- Preferred name
- 3-(Anilinomethyl)-2-benzothiazolinethione
- IUPAC
- 3-(2-anilinoethyl)-1,3-benzothiazole-2-thione
Names & synonyms
5332-60-53-(ANILINOMETHYL)-2-BENZOTHIAZOLINETHIONENSC533DTXSID60967928NSC-5333-(2-Anilinoethyl)-1,3-benzothiazole-2(3H)-thione
Database identifiers
- CAS
5332-60-5- PubChem CID
- 219341
- DTXSID
DTXSID60967928
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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