947599-52-2
5-(BROMOMETHYL)-3-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,4-THIADIAZOLE
Name5-(BROMOMETHYL)-3-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,4-THIADIAZOLE
1Identification
【Name】
5-(BROMOMETHYL)-3-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,4-THIADIAZOLE
【CAS】
【MDL】
MFCD11040221
【English Synonyms】
【Formula】
C10 H6 Br F3 N2 S
【MolWeight】
323.135
【Inchi】
InChI=1S/C10H6BrF3N2S/c11-5-8-15-9(16-17-8)6-1-3-7(4-2-6)10(12,13)14/h1-4H,5H2
【InChIKey】
InChIKey=HSHZPGGCSUPGLY-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2nc(sn2)CBr)C(F)(F)F
【MOL File】
5-(BROMOMETHYL)-3-[4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(BROMOMETHYL)-3-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,4-THIADIAZOLE.cml