590379-01-4
3-THIAZOLIDINECARBOTHIOAMIDE,2-[4-(3-HYDROXY-3-METHYL-1-BUTYNYL)PHENYL]-N-(4-METHYLPHENYL)-
Name3-THIAZOLIDINECARBOTHIOAMIDE,2-[4-(3-HYDROXY-3-METHYL-1-BUTYNYL)PHENYL]-N-(4-METHYLPHENYL)-
1Identification
【Name】
3-THIAZOLIDINECARBOTHIOAMIDE,2-[4-(3-HYDROXY-3-METHYL-1-BUTYNYL)PHENYL]-N-(4-METHYLPHENYL)-
【CAS】
【MDL】
MFCD03854843
【English Synonyms】
【Formula】
C22 H24 N2 O S2
【MolWeight】
396.577
【Inchi】
InChI=1S/C22H24N2OS2/c1-16-4-10-19(11-5-16)23-21(26)24-14-15-27-20(24)18-8-6-17(7-9-18)12-13-22(2,3)25/h4-11,20,25H,14-15H2,1-3H3,(H,23,26)
【InChIKey】
InChIKey=LEHMVARVLVQURD-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)NC(=S)N2CCSC2c3ccc(cc3)C#CC(C)(C)O
【MOL File】
3-THIAZOLIDINECARBOT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-THIAZOLIDINECARBOTHIOAMIDE,2-[4-(3-HYDROXY-3-METHYL-1-BUTYNYL)PHENYL]-N-(4-METHYLPHENYL)-.cml