590379-02-5
3-THIAZOLIDINECARBOTHIOAMIDE,N-(3-CHLORO-4-METHOXYPHENYL)-2-[4-(3-HYDROXY-3-METHYL-1-BUTYNYL)PHENYL]-
Name3-THIAZOLIDINECARBOTHIOAMIDE,N-(3-CHLORO-4-METHOXYPHENYL)-2-[4-(3-HYDROXY-3-METHYL-1-BUTYNYL)PHENYL]-
FormulaC22 H23 Cl N2 O2 S2
1Identification
【Name】
3-THIAZOLIDINECARBOTHIOAMIDE,N-(3-CHLORO-4-METHOXYPHENYL)-2-[4-(3-HYDROXY-3-METHYL-1-BUTYNYL)PHENYL]-
【CAS】
【MDL】
MFCD03854844
【English Synonyms】
【Formula】
C22 H23 Cl N2 O2 S2
【MolWeight】
447.021
【Inchi】
InChI=1S/C22H23ClN2O2S2/c1-22(2,26)11-10-15-4-6-16(7-5-15)20-25(12-13-29-20)21(28)24-17-8-9-19(27-3)18(23)14-17/h4-9,14,20,26H,12-13H2,1-3H3,(H,24,28)
【InChIKey】
InChIKey=ZARWCSOWOYLBHI-UHFFFAOYSA-N
【SMILES】
CC(C)(C#Cc1ccc(cc1)C2N(CCS2)C(=S)Nc3ccc(c(c3)Cl)OC)O
【MOL File】
3-THIAZOLIDINECARBOT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-THIAZOLIDINECARBOTHIOAMIDE,N-(3-CHLORO-4-METHOXYPHENYL)-2-[4-(3-HYDROXY-3-METHYL-1-BUTYNYL)PHENYL]-.cml