Basic information
- CAS
477866-75-4- Standard SMILES
COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1C#N- InChIKey
MCHQNFDVMMHWQN-UHFFFAOYSA-N- Molecular formula
- C16H10F3NO2S
- Average molar mass
- 337.3 g/mol
Names & identifiers
- Preferred name
- Methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate
- IUPAC
- methyl 2-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylbenzoate
- English name
- METHYL 2-([2-CYANO-4-(TRIFLUOROMETHYL)PHENYL]SULFANYL)BENZENECARBOXYLATE
- Molecular formula
- C16H10F3NO2S
- Molecular weight
- 337.32
Names & synonyms
477866-75-4methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylateMFCD00793943methyl 2-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylbenzoatemethyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzoateMethyl 2-((2-cyano-4-(trifluoromethyl)phenyl)sulfanyl)benzenecarboxylateAKOS0050829321L-520SMethyl 2-((2-cyano-4-(trifluoromethyl)phenyl)thio)benzoatemethyl2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzoateBenzoic acid, 2-[[2-cyano-4-(trifluoromethyl)phenyl]thio]-, methyl esterMETHYL 2-([2-CYANO-4-(TRIFLUOROMETHYL)PHENYL]SULFANYL)BENZENECARBOXYLATE
Database identifiers
- CAS
477866-75-4
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 474
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
BIONET-INTER[email protected]
MATRIX[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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