587850-15-5
4-[[[2-(2,4-DICHLOROPHENYL)-3-THIAZOLIDINYL]THIOXOMETHYL]AMINO]-BENZOIC ACID ETHYL ESTER
Name4-[[[2-(2,4-DICHLOROPHENYL)-3-THIAZOLIDINYL]THIOXOMETHYL]AMINO]-BENZOIC ACID ETHYL ESTER
FormulaC19 H18 Cl2 N2 O2 S2
1Identification
【Name】
4-[[[2-(2,4-DICHLOROPHENYL)-3-THIAZOLIDINYL]THIOXOMETHYL]AMINO]-BENZOIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD03682726
【English Synonyms】
【Formula】
C19 H18 Cl2 N2 O2 S2
【MolWeight】
441.401
【Inchi】
InChI=1S/C19H18Cl2N2O2S2/c1-2-25-18(24)12-3-6-14(7-4-12)22-19(26)23-9-10-27-17(23)15-8-5-13(20)11-16(15)21/h3-8,11,17H,2,9-10H2,1H3,(H,22,26)
【InChIKey】
InChIKey=SULBQXSQLGJCKC-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1ccc(cc1)NC(=S)N2CCSC2c3ccc(cc3Cl)Cl
【MOL File】
4-[[[2-(2,4-DICHLORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[[[2-(2,4-DICHLOROPHENYL)-3-THIAZOLIDINYL]THIOXOMETHYL]AMINO]-BENZOIC ACID ETHYL ESTER.cml