134399-14-7
3-(1-CHLORO-2-HYDROXYPROPYLTHIO)-5-PHENYL-1,2,4-TRIAZOLE
Name3-(1-CHLORO-2-HYDROXYPROPYLTHIO)-5-PHENYL-1,2,4-TRIAZOLE
1Identification
【Name】
3-(1-CHLORO-2-HYDROXYPROPYLTHIO)-5-PHENYL-1,2,4-TRIAZOLE
【CAS】
【MDL】
MFCD01697152
【English Synonyms】
【Formula】
C11 H12 Cl N3 O S
【MolWeight】
269.755
【Inchi】
InChI=1S/C11H12ClN3OS/c12-6-9(16)7-17-11-13-10(14-15-11)8-4-2-1-3-5-8/h1-5,9,16H,6-7H2,(H,13,14,15)
【InChIKey】
InChIKey=QIIAQAQSQRIKKV-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2[nH]nc(n2)SCC(CCl)O
【MOL File】
3-(1-CHLORO-2-HYDROX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(1-CHLORO-2-HYDROXYPROPYLTHIO)-5-PHENYL-1,2,4-TRIAZOLE.cml