6-Benzothiazolamine, N-((5-(3,4-dichlorophenyl)-1H-tetrazol-1-yl)methyl)-2-(ethylthio)-
Basic information
- CAS
82746-90-5- Standard SMILES
CCSc1nc2ccc(NCn3nnnc3-c3ccc(Cl)c(Cl)c3)cc2s1- InChIKey
JPIRPVOLLYNEDR-UHFFFAOYSA-N- Molecular formula
- C17H14Cl2N6S2
- Average molar mass
- 437.4 g/mol
- Monoisotopic mass
- 436.0098422
Names & identifiers
- Preferred name
- 6-Benzothiazolamine, N-((5-(3,4-dichlorophenyl)-1H-tetrazol-1-yl)methyl)-2-(ethylthio)-
- IUPAC
- N-[[5-(3,4-dichlorophenyl)tetrazol-1-yl]methyl]-2-ethylsulfanyl-1,3-benzothiazol-6-amine
- English name
- 6-Benzothiazolamine, N-((5-(3,4-dichlorophenyl)-1H-tetrazol-1-yl)methy L)-2-(ethy
- Molecular formula
- C17H14Cl2N6S2
- Molecular weight
- 437.36926
Names & synonyms
82746-90-56-Benzothiazolamine, N-((5-(3,4-dichlorophenyl)-1H-tetrazol-1-yl)methyl)-2-(ethylthio)-N-((5-(3,4-Dichlorophenyl)-1H-tetrazol-1-yl)methyl)-2-(ethylthio)-6-benzothiazolamineDTXSID70231985RefChem:307234DTXCID00154476N-{[5-(3,4-Dichlorophenyl)-1H-tetrazol-1-yl]methyl}-2-(ethylsulfanyl)-1,3-benzothiazol-6-amine6-Benzothiazolamine, N-((5-(3,4-dichlorophenyl)-1H-tetrazol-1-yl)methy L)-2-(ethy
Database identifiers
- CAS
82746-90-5- PubChem CID
- 54908
- DTXSID
DTXSID70231985
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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