n-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-n-phenylaniline
Basic information
- CAS
6323-44-0- Standard SMILES
c1ccc(N(CSc2nc3ccccc3s2)c2ccccc2)cc1- InChIKey
PDNSQYNPZWJOLK-UHFFFAOYSA-N- Molecular formula
- C20H16N2S2
- Average molar mass
- 348.5 g/mol
- Monoisotopic mass
- 348.07549087
Names & identifiers
- Preferred name
- n-[(1,3-Benzothiazol-2-ylsulfanyl)methyl]-n-phenylaniline
- IUPAC
- N-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-phenylaniline
Names & synonyms
n-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-n-phenylaniline6323-44-0NSC34239DTXSID30283925NSC-34239N-{[(1,3-Benzothiazol-2-yl)sulfanyl]methyl}-N-phenylaniline
Database identifiers
- CAS
6323-44-0- PubChem CID
- 234403
- DTXSID
DTXSID30283925
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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