571149-73-0
5-((4-[(DIFLUOROMETHYL)SULFANYL]PHENYL)AMINO)-1,3,4-THIADIAZOLE-2-THIOL
Name5-((4-[(DIFLUOROMETHYL)SULFANYL]PHENYL)AMINO)-1,3,4-THIADIAZOLE-2-THIOL
1Identification
【Name】
5-((4-[(DIFLUOROMETHYL)SULFANYL]PHENYL)AMINO)-1,3,4-THIADIAZOLE-2-THIOL
【CAS】
【MDL】
MFCD03980955
【English Synonyms】
【Formula】
C9 H7 F2 N3 S3
【MolWeight】
291.369
【Inchi】
InChI=1S/C9H7F2N3S3/c10-7(11)16-6-3-1-5(2-4-6)12-8-13-14-9(15)17-8/h1-4,7H,(H,12,13)(H,14,15)
【InChIKey】
InChIKey=CCTGGHGFEBPUHB-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1Nc2nnc(s2)S)SC(F)F
【MOL File】
5-((4-[(DIFLUOROMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-((4-[(DIFLUOROMETHYL)SULFANYL]PHENYL)AMINO)-1,3,4-THIADIAZOLE-2-THIOL.cml