Basic information
- CAS
46272-68-8- Standard SMILES
CCSc1sc2ccccc2[n+]1CC- InChIKey
PTPAZLAGIQETCL-UHFFFAOYSA-N- Molecular formula
- C11H14NS2+
- Average molar mass
- 224.4 g/mol
- Monoisotopic mass
- 224.0567668
Names & identifiers
- Preferred name
- 2-Ethylmercapto-3-ethylbenzothiazolium
- IUPAC
- 3-ethyl-2-ethylsulfanyl-1,3-benzothiazol-3-ium
- English name
- 2-(Ethylthio)-3-ethylbenzothiazole-3-ium
- Molecular weight
- 0
Names & synonyms
SCHEMBL13026972PTPAZLAGIQETCL-UHFFFAOYSA-N2-ethylmercapto-3-ethylbenzothiazolium3-Ethyl-2-(ethylthio)benzothiazol-3-ium2-(Ethylthio)-3-ethylbenzothiazole-3-ium
Database identifiers
- CAS
46272-68-8- PubChem CID
- 170396
- Nikkaji
- J415.494K
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 1
- Complexity
- 186
Related reactions
1 records
Compound notes
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