608491-88-9
4-(TRIFLUOROMETHYL)-1,2-DIHYDRO-2-THIOXO-6-P-TOLYLPYRIDINE-3-CARBONITRILE
Name4-(TRIFLUOROMETHYL)-1,2-DIHYDRO-2-THIOXO-6-P-TOLYLPYRIDINE-3-CARBONITRILE
1Identification
【Name】
4-(TRIFLUOROMETHYL)-1,2-DIHYDRO-2-THIOXO-6-P-TOLYLPYRIDINE-3-CARBONITRILE
【CAS】
【MDL】
MFCD03730887
【English Synonyms】
【Formula】
C14 H9 F3 N2 S
【MolWeight】
294.299
【Inchi】
InChI=1S/C14H9F3N2S/c1-8-2-4-9(5-3-8)12-6-11(14(15,16)17)10(7-18)13(20)19-12/h2-6H,1H3,(H,19,20)
【InChIKey】
InChIKey=WQSMPHBDPYFKLB-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)c2cc(c(c(=S)[nH]2)C#N)C(F)(F)F
【MOL File】
4-(TRIFLUOROMETHYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(TRIFLUOROMETHYL)-1,2-DIHYDRO-2-THIOXO-6-P-TOLYLPYRIDINE-3-CARBONITRILE.cml