O-propan-2-yl [2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]sulfanylmethanethioate
Basic information
- CAS
42574-10-7- Standard SMILES
CC(C)OC(=S)SCC(=O)c1ccc(C(F)(F)F)cc1- InChIKey
NUAYGYJRMOHKJY-UHFFFAOYSA-N- Molecular formula
- C13H13F3O2S2
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.03090649
Names & identifiers
- Preferred name
- O-propan-2-yl [2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]sulfanylmethanethioate
- IUPAC
- O-propan-2-yl [2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]sulfanylmethanethioate
Names & synonyms
42574-10-7NSC208896O-propan-2-yl [2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]sulfanylmethanethioateDTXSID60308771NSC-208896DS-0135672-Propan-2-yloxycarbothioylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanoneS-{2-Oxo-2-[4-(trifluoromethyl)phenyl]ethyl} O-(propan-2-yl) carbonodithioate
Database identifiers
- CAS
42574-10-7- PubChem CID
- 308207
- DTXSID
DTXSID60308771
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…