2(3H)-Thiazolethione, 4-methyl-5-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-
Basic information
- CAS
499786-34-4- Standard SMILES
Cc1[nH]c(=S)sc1C(C(F)(F)F)C(F)(F)F- InChIKey
ORKLMDAZWWOVAB-UHFFFAOYSA-N- Molecular formula
- C7H5F6NS2
- Average molar mass
- 281.2 g/mol
- Monoisotopic mass
- 280.97676048
Names & identifiers
- Preferred name
- 2(3H)-Thiazolethione, 4-methyl-5-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-
- IUPAC
- 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methyl-3H-1,3-thiazole-2-thione
Names & synonyms
499786-34-42(3H)-Thiazolethione, 4-methyl-5-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-DTXSID407860135-(1,1,1,3,3,3-Hexafluoropropan-2-yl)-4-methyl-1,3-thiazole-2(3H)-thione
Database identifiers
- CAS
499786-34-4- PubChem CID
- 71362385
- DTXSID
DTXSID40786013
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 328
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Compound notes
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