933027-32-8
[((5-METHYL-2-[4-(METHYLTHIO)PHENYL]-1,3-OXAZOL-4-YL)METHYL)THIO]ACETIC ACID
Name[((5-METHYL-2-[4-(METHYLTHIO)PHENYL]-1,3-OXAZOL-4-YL)METHYL)THIO]ACETIC ACID
pro_formulaC14 H15 N O3 S2
1Identification
【Name】
[((5-METHYL-2-[4-(METHYLTHIO)PHENYL]-1,3-OXAZOL-4-YL)METHYL)THIO]ACETIC ACID
【CAS】
【MDL】
MFCD12027184
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H15 N O3 S2
【pro_molWeight】
309.409
【Inchi】
InChI=1S/C14H15NO3S2/c1-9-12(7-20-8-13(16)17)15-14(18-9)10-3-5-11(19-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,16,17)
【InChIKey】
InChIKey=KQHJAJCUAJNBAK-UHFFFAOYSA-N
【SMILES】
Cc1c(nc(o1)c2ccc(cc2)SC)CSCC(=O)O
【MOL File】
[((5-METHYL-2-[4-(ME….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
[((5-METHYL-2-[4-(METHYLTHIO)PHENYL]-1,3-OXAZOL-4-YL)METHYL)THIO]ACETIC ACID.cml