Basic information
- CAS
57245-00-8- Standard SMILES
CC1CCN(SSc2nc3ccccc3s2)CC1- InChIKey
LUYWXMSNFQDMRA-UHFFFAOYSA-N- Molecular formula
- C13H16N2S3
- Average molar mass
- 296.5 g/mol
- Monoisotopic mass
- 296.04756204
Names & identifiers
- Preferred name
- Benzothiazole, 2-((4-methyl-1-piperidinyl)dithio)-
- IUPAC
- 2-[(4-methylpiperidin-1-yl)disulfanyl]-1,3-benzothiazole
Names & synonyms
57245-00-8Benzothiazole, 2-((4-methyl-1-piperidinyl)dithio)-G3EB9JIO7DUNII-G3EB9JIO7DNSC261199NSC 2611992-(4-Methylpiperidinodithio)benzothiazoleNSC-261199Benzothiazole, 2-[(4-methyl-1-piperidinyl)dithio]-Benzothiazole der.2-[(4-methylpiperidin-1-yl)disulfanyl]-1,3-benzothiazoleBenzothiazole,2-((4-methyl-1-piperidinyl)dithio)-
Show more names
DTXSID60205857DS-0104922-(3-METHYLPIPERIDINODITHIO)BENZOTHIAZOLE2-[(4-methyl-1-piperidyl)disulfanyl]-1,3-benzothiazole
Database identifiers
- CAS
57245-00-8- PubChem CID
- 319215
- DTXSID
DTXSID60205857- UNII
- G3EB9JIO7D
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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