307510-92-5
Product Name:
CFTRinh-172
Formula:
C18H10F3NO3S2
Synonyms:
;5-[(4-Carboxyphenyl)methylene]-2-thioxo-3-[(3-trifluoromethyl)phenyl-4-thiazolidinone;InSolution
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SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Exclamation Mark Irritant GHS07 Environment GHS09 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H317:Sensitisation, Skin H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H410:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
Molecular Weight | 409.4 g/mol |
---|---|
XLogP3 | 4.9 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 3 |
Exact Mass | 409.00542001 g/mol |
Monoisotopic Mass | 409.00542001 g/mol |
Topological Polar Surface Area | 115 Ų |
Heavy Atom Count | 27 |
Formal Charge | 0 |
Complexity | 657 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |