Basic information
- CAS
130997-57-8- Standard SMILES
Cl.N=c1sc2cc(OC(F)(F)F)ccc2n1CCSCC(F)(F)F- InChIKey
FOFWIDPEJSJOPB-UHFFFAOYSA-N- Molecular formula
- C12H11ClF6N2OS2
- Average molar mass
- 412.8 g/mol
- Monoisotopic mass
- 411.990552
Names & identifiers
- Preferred name
- 2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride
- IUPAC
- 3-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-2-imine;hydrochloride
Names & synonyms
2(3H)-Benzothiazolimine, 3-(2-((2,2,2-trifluoroethyl)thio)ethyl)-6-(trifluoromethoxy)-, monohydrochloride2-Imino-3-(2-(2,2,2-trifluoroethylthio)ethyl)-6-trifluoromethoxybenzothiazoline hydrochloride130997-57-8RefChem:241483SCHEMBL9780264DTXSID90927015FOFWIDPEJSJOPB-UHFFFAOYSA-N3-{2-[(2,2,2-Trifluoroethyl)sulfanyl]ethyl}-6-(trifluoromethoxy)-1,3-benzothiazol-2(3H)-imine--hydrogen chloride (1/1)
Database identifiers
- CAS
130997-57-8- PubChem CID
- 3076397
- DTXSID
DTXSID90927015
Properties
Computed structural properties
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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