Basic information
- CAS
692738-27-5- Standard SMILES
Cc1ccc2c(c1)C(=O)C(NC(=O)c1cccc(C(F)(F)F)c1)CS2- InChIKey
AKEFUJRAUKXNFW-UHFFFAOYSA-N- Molecular formula
- C18H14F3NO2S
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.06973435
Names & identifiers
- Preferred name
- N-(6-methyl-4-oxo-3,4-dihydro-2H-thiochromen-3-yl)-3-(trifluoromethyl)benzenecarboxamide
- IUPAC
- N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)-3-(trifluoromethyl)benzamide
- English name
- N-(6-METHYL-4-OXO-3,4-DIHYDRO-2H-THIOCHROMEN-3-YL)-3-(TRIFLUOROMETHYL)BENZENECARBOXAMIDE
- Molecular formula
- C18H14F3NO2S
- Molecular weight
- 365.37
Names & synonyms
692738-27-5N-(6-methyl-4-oxo-3,4-dihydro-2H-thiochromen-3-yl)-3-(trifluoromethyl)benzenecarboxamideN-(6-methyl-4-oxo-3,4-dihydro-2H-1-benzothiopyran-3-yl)-3-(trifluoromethyl)benzamideN-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)-3-(trifluoromethyl)benzamideBionet1_004884MixCom3_000024C18H14F3NO2SMFCD03102767AKOS0051041199R-1153N-(6-methyl-4-oxo-thiochroman-3-yl)-3-(trifluoromethyl)benzamideN-(6-methyl-4-oxothiochroman-3-yl)-3-(trifluoromethyl)benzamide
Show more names
Benzamide, N-(3,4-dihydro-6-methyl-4-oxo-2H-1-benzothiopyran-3-yl)-3-(trifluoromethyl)-
Database identifiers
- CAS
692738-27-5
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 525
Physicochemical properties
- Boiling point
- 529.7 · 529.7±50.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 12.39 · 12.39±0.20(Predicted)
- 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
Suppliers1 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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