506433-29-0
N-(1,1-DIOXOTHIAN-4-YL)-4-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXAMIDE
NameN-(1,1-DIOXOTHIAN-4-YL)-4-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXAMIDE
1Identification
【Name】
N-(1,1-DIOXOTHIAN-4-YL)-4-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXAMIDE
【CAS】
【MDL】
MFCD16659880
【English Synonyms】
【Formula】
C12H13F3N2O3S
【MolWeight】
322.306
【Inchi】
InChI=1S/C12H13F3N2O3S/c13-12(14,15)10-1-4-16-7-9(10)11(18)17-8-2-5-21(19,20)6-3-8/h1,4,7-8H,2-3,5-6H2,(H,17,18)
【InChIKey】
InChIKey=KNQCGZMJRWZZOA-UHFFFAOYSA-N
【SMILES】
O=S1(CCC(CC1)NC(=O)C=1C=NC=CC1C(F)(F)F)=O
【MOL File】
N-(1,1-DIOXOTHIAN-4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.3278
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(1,1-DIOXOTHIAN-4-YL)-4-(TRIFLUOROMETHYL)PYRIDINE-3-CARBOXAMIDE.cml