870703-90-5
4-PHENYL-4-THIO-2-(TRIFLUOROMETHYL)BUTANOIC ACID
Name4-PHENYL-4-THIO-2-(TRIFLUOROMETHYL)BUTANOIC ACID
1Identification
【Name】
4-PHENYL-4-THIO-2-(TRIFLUOROMETHYL)BUTANOIC ACID
【CAS】
【MDL】
MFCD05854259
【English Synonyms】
【Formula】
C11 H11 F3 O2 S
【MolWeight】
264.266
【Inchi】
InChI=1S/C11H11F3O2S/c12-11(13,14)8(10(15)16)6-9(17)7-4-2-1-3-5-7/h1-5,8-9,17H,6H2,(H,15,16)
【InChIKey】
InChIKey=MLQCOPQFYBPBMA-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C(CC(C(=O)O)C(F)(F)F)S
【MOL File】
4-PHENYL-4-THIO-2-(T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-PHENYL-4-THIO-2-(TRIFLUOROMETHYL)BUTANOIC ACID.cml