Basic information
- CAS
38533-63-0- Standard SMILES
Nc1ccc(Sc2nc3ccccc3s2)c2ncccc12- InChIKey
DQLGLDMAHYTTTM-UHFFFAOYSA-N- Molecular formula
- C16H11N3S2
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.03943971
Names & identifiers
- Preferred name
- 8-Benzothiazol-2-ylthio-5-quinolylamine
- IUPAC
- 8-(1,3-benzothiazol-2-ylsulfanyl)quinolin-5-amine
Names & synonyms
8-Benzothiazol-2-ylthio-5-quinolylamine8-(1,3-benzothiazol-2-ylsulfanyl)quinolin-5-amineDTXSID50127437838533-63-08-(2-Benzothiazolylthio)-5-quinolinamine5-Amino-8-quinolyl-(2'-benzothiazolyl)sulfide8-[(1,3-Benzothiazol-2-yl)sulfanyl]quinolin-5-amine
Database identifiers
- CAS
38533-63-0- PubChem CID
- 487292
- DTXSID
DTXSID501274378
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 367
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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