Basic information
- CAS
82746-89-2- Standard SMILES
CCSc1nc2ccc(NCn3nnnc3-c3ccc([N+](=O)[O-])cc3)cc2s1- InChIKey
LIIMDKKKDSWCAF-UHFFFAOYSA-N- Molecular formula
- C17H15N7O2S2
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.07286509
Names & identifiers
- Preferred name
- 6-Benzothiazolamine, 2-(ethylthio)-N-((5-(4-nitrophenyl)-1H-tetrazol-1-yl)methyl)-
- IUPAC
- 2-ethylsulfanyl-N-[[5-(4-nitrophenyl)tetrazol-1-yl]methyl]-1,3-benzothiazol-6-amine
Names & synonyms
82746-89-26-Benzothiazolamine, 2-(ethylthio)-N-((5-(4-nitrophenyl)-1H-tetrazol-1-yl)methyl)-2-(Ethylthio)-N-((5-(4-nitrophenyl)-1H-tetrazol-1-yl)methyl)-6-benzothiazolamineDTXSID10231984RefChem:307232DTXCID401544752-(ethylsulfanyl)-N-{[5-(4-nitrophenyl)-1H-tetrazol-1-yl]methyl}-1,3-benzothiazol-6-amine
Database identifiers
- CAS
82746-89-2- PubChem CID
- 54907
- DTXSID
DTXSID10231984
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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