63244-05-3
METHYL 3-(4-CHLOROPHENYL)-4-CYANO-5-(METHYLTHIO)THIOPHENE-2-CARBOXYLATE
NameMETHYL 3-(4-CHLOROPHENYL)-4-CYANO-5-(METHYLTHIO)THIOPHENE-2-CARBOXYLATE
pro_formulaC14 H10 Cl N O2 S2
1Identification
【Name】
METHYL 3-(4-CHLOROPHENYL)-4-CYANO-5-(METHYLTHIO)THIOPHENE-2-CARBOXYLATE
【CAS】
【MDL】
MFCD01570501
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H10 Cl N O2 S2
【pro_molWeight】
323.823
【Inchi】
InChI=1S/C14H10ClNO2S2/c1-18-13(17)12-11(8-3-5-9(15)6-4-8)10(7-16)14(19-2)20-12/h3-6H,1-2H3
【InChIKey】
InChIKey=UTIJWORNVJAYLY-UHFFFAOYSA-N
【SMILES】
COC(=O)c1c(c(c(s1)SC)C#N)c2ccc(cc2)Cl
【MOL File】
METHYL 3-(4-CHLOROPH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:4.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
METHYL 3-(4-CHLOROPHENYL)-4-CYANO-5-(METHYLTHIO)THIOPHENE-2-CARBOXYLATE.cml