400084-66-4
S-PHENYL 1-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYL]-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOTHIOATE
NameS-PHENYL 1-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYL]-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOTHIOATE
1Identification
【Name】
S-PHENYL 1-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYL]-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOTHIOATE
【CAS】
【MDL】
MFCD01316921
【English Synonyms】
【Formula】
C20 H13 F2 N O4 S
【MolWeight】
401.388
【Inchi】
InChI=1S/C20H13F2NO4S/c21-20(22)26-16-9-8-13(11-17(16)27-20)12-23-10-4-7-15(18(23)24)19(25)28-14-5-2-1-3-6-14/h1-11H,12H2
【InChIKey】
InChIKey=IDGLZCLTCGROAZ-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)SC(=O)c2cccn(c2=O)Cc3ccc4c(c3)OC(O4)(F)F
【MOL File】
S-PHENYL 1-[(2,2-DIF….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
S-PHENYL 1-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYL]-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOTHIOATE.cml