730997-84-9
1-(4-METHOXY-3-[(4H-1,2,4-TRIAZOL-3-YLSULFANYL)METHYL]PHENYL)ETHAN-1-ONE
Name1-(4-METHOXY-3-[(4H-1,2,4-TRIAZOL-3-YLSULFANYL)METHYL]PHENYL)ETHAN-1-ONE
1Identification
【Name】
1-(4-METHOXY-3-[(4H-1,2,4-TRIAZOL-3-YLSULFANYL)METHYL]PHENYL)ETHAN-1-ONE
【CAS】
【MDL】
MFCD04624835
【English Synonyms】
【Formula】
C12 H13 N3 O2 S
【MolWeight】
263.32
【Inchi】
InChI=1S/C12H13N3O2S/c1-8(16)9-3-4-11(17-2)10(5-9)6-18-12-13-7-14-15-12/h3-5,7H,6H2,1-2H3,(H,13,14,15)
【InChIKey】
InChIKey=LJLZZXROEYZXFF-UHFFFAOYSA-N
【SMILES】
CC(=O)c1ccc(c(c1)CSc2[nH]cnn2)OC
【MOL File】
1-(4-METHOXY-3-[(4H-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-METHOXY-3-[(4H-1,2,4-TRIAZOL-3-YLSULFANYL)METHYL]PHENYL)ETHAN-1-ONE.cml