Basic information
- CAS
26773-65-9- Standard SMILES
c1ccc2sc(SN3CCCCC3)nc2c1- InChIKey
CAHGZULPDQXGMZ-UHFFFAOYSA-N- Molecular formula
- C12H14N2S2
- Average molar mass
- 250.4 g/mol
- Monoisotopic mass
- 250.0598408
Names & identifiers
- Preferred name
- 2-(Piperidinothio)benzothiazole
- IUPAC
- 2-piperidin-1-ylsulfanyl-1,3-benzothiazole
- English name
- 2-(Piperidinothio)benzothiazole
- Molecular formula
- C12H14N2S2
- Molecular weight
- 250.38
Names & synonyms
2-(Piperidinothio)benzothiazoleBENZOTHIAZOLE, 2-(PIPERIDINOTHIO)-Benzothiazole, 2-(1-piperidinylthio)-NSC 203009Piperidine, 1-(2-benzothiazolylthio)-BRN 017752902EEJ0WP97NSC-203009UNII-02EEJ0WP97DTXSID001812874-27-00-01869 (Beilstein Handbook Reference)2-(1-PIPERIDINYLTHIO)BENZOTHIAZOLE
Show more names
N-PIPERIDYL-2-BENZOTHIAZOLESULFENAMIDE2-BENZOTHIAZOLESULFENIC ACID PIPERIDIDEBENZOTHIAZOLE, 2-(1-PIPERIDYLMERCAPTO)-PIPERIDINE, 1-(2-BENZOTHIAZOLYLMERCAPTO)-RefChem:84873DTXCID10103778Benzothiazole, 2-(1-piperidinylthio)-(9CI)Piperidine, 1-(2-benzothiazolylthio)-(9CI)
Database identifiers
- CAS
26773-65-9- PubChem CID
- 33608
- DTXSID
DTXSID00181287- UNII
- 02EEJ0WP97
- Nikkaji
- J41.949D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- FDA UNII
- 2 EEJ0WP97 · 02EEJ0WP97
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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