863679-31-6
3-[(3-CHLOROPROPYL)THIO]-4-METHYL-5-(4-METHYL-1,3-OXAZOL-5-YL)-4H-1,2,4-TRIAZOLE
Name3-[(3-CHLOROPROPYL)THIO]-4-METHYL-5-(4-METHYL-1,3-OXAZOL-5-YL)-4H-1,2,4-TRIAZOLE
pro_formulaC10 H13 Cl N4 O S
1Identification
【Name】
3-[(3-CHLOROPROPYL)THIO]-4-METHYL-5-(4-METHYL-1,3-OXAZOL-5-YL)-4H-1,2,4-TRIAZOLE
【CAS】
【MDL】
MFCD09264191
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C10 H13 Cl N4 O S
【pro_molWeight】
272.759
【Inchi】
InChI=1S/C10H13ClN4OS/c1-7-8(16-6-12-7)9-13-14-10(15(9)2)17-5-3-4-11/h6H,3-5H2,1-2H3
【InChIKey】
InChIKey=QCZWAZSRPCRGMC-UHFFFAOYSA-N
【SMILES】
Cc1c(ocn1)c2nnc(n2C)SCCCCl
【MOL File】
3-[(3-CHLOROPROPYL)T….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-[(3-CHLOROPROPYL)THIO]-4-METHYL-5-(4-METHYL-1,3-OXAZOL-5-YL)-4H-1,2,4-TRIAZOLE.cml