Basic information
- CAS
82746-83-6- Standard SMILES
CC(C)CSc1nc2ccc(NCn3nnnc3-c3ccccc3)cc2s1- InChIKey
AUGBURTXABTMIJ-UHFFFAOYSA-N- Molecular formula
- C19H20N6S2
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.11908701
Names & identifiers
- Preferred name
- 6-Benzothiazolamine, 2-((2-methylpropyl)thio)-N-((5-phenyl-1H-tetrazol-1-yl)methyl)-
- IUPAC
- 2-(2-methylpropylsulfanyl)-N-[(5-phenyltetrazol-1-yl)methyl]-1,3-benzothiazol-6-amine
- English name
- 2-((2-Methylpropyl)thio)-N-((5-phenyl-1H-tetrazol-1-yl)methyl)-6-benzo thiazolamine
- Molecular weight
- 0
Names & synonyms
82746-83-66-Benzothiazolamine, 2-((2-methylpropyl)thio)-N-((5-phenyl-1H-tetrazol-1-yl)methyl)-2-((2-Methylpropyl)thio)-N-((5-phenyl-1H-tetrazol-1-yl)methyl)-6-benzothiazolamineDTXSID90231982RefChem:307231DTXCID201544732-[(2-Methylpropyl)sulfanyl]-N-[(5-phenyl-1H-tetrazol-1-yl)methyl]-1,3-benzothiazol-6-amine2-((2-Methylpropyl)thio)-N-((5-phenyl-1H-tetrazol-1-yl)methyl)-6-benzo thiazolamine
Database identifiers
- CAS
82746-83-6- PubChem CID
- 54905
- DTXSID
DTXSID90231982
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 461
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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