3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione
Basic information
- CAS
63304-30-3- Standard SMILES
Cc1ccc(NCn2c(=S)sc3ccccc32)cc1- InChIKey
JSJCWHMHVUTJQZ-UHFFFAOYSA-N- Molecular formula
- C15H14N2S2
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.0598408
Names & identifiers
- Preferred name
- 3-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thione
- IUPAC
- 3-[(4-methylanilino)methyl]-1,3-benzothiazole-2-thione
Names & synonyms
63304-30-3NSC351185DTXSID703198333-[(4-Methylanilino)methyl]-1,3-benzothiazole-2(3H)-thioneNSC-351185
Database identifiers
- CAS
63304-30-3- PubChem CID
- 336519
- DTXSID
DTXSID70319833
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 326
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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