590379-26-3
3-THIAZOLIDINECARBOTHIOAMIDE,2-[4-(3-HYDROXY-3-METHYL-1-BUTYNYL)PHENYL]-N-(4-METHOXYPHENYL)-
Name3-THIAZOLIDINECARBOTHIOAMIDE,2-[4-(3-HYDROXY-3-METHYL-1-BUTYNYL)PHENYL]-N-(4-METHOXYPHENYL)-
1Identification
【Name】
3-THIAZOLIDINECARBOTHIOAMIDE,2-[4-(3-HYDROXY-3-METHYL-1-BUTYNYL)PHENYL]-N-(4-METHOXYPHENYL)-
【CAS】
【MDL】
MFCD03916334
【English Synonyms】
【Formula】
C22 H24 N2 O2 S2
【MolWeight】
412.576
【Inchi】
InChI=1S/C22H24N2O2S2/c1-22(2,25)13-12-16-4-6-17(7-5-16)20-24(14-15-28-20)21(27)23-18-8-10-19(26-3)11-9-18/h4-11,20,25H,14-15H2,1-3H3,(H,23,27)
【InChIKey】
InChIKey=ZPMMELRRZIQEGJ-UHFFFAOYSA-N
【SMILES】
CC(C)(C#Cc1ccc(cc1)C2N(CCS2)C(=S)Nc3ccc(cc3)OC)O
【MOL File】
3-THIAZOLIDINECARBOT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-THIAZOLIDINECARBOTHIOAMIDE,2-[4-(3-HYDROXY-3-METHYL-1-BUTYNYL)PHENYL]-N-(4-METHOXYPHENYL)-.cml