590380-34-0
3-THIAZOLIDINECARBOTHIOAMIDE,N-(4-CHLOROPHENYL)-2-[5-(4-HYDROXY-3,3-DIMETHYL-1-BUTYNYL)-2-THIENYL]-
Name3-THIAZOLIDINECARBOTHIOAMIDE,N-(4-CHLOROPHENYL)-2-[5-(4-HYDROXY-3,3-DIMETHYL-1-BUTYNYL)-2-THIENYL]-
FormulaC20 H21 Cl N2 O S3
1Identification
【Name】
3-THIAZOLIDINECARBOTHIOAMIDE,N-(4-CHLOROPHENYL)-2-[5-(4-HYDROXY-3,3-DIMETHYL-1-BUTYNYL)-2-THIENYL]-
【CAS】
【MDL】
MFCD03916494
【English Synonyms】
【Formula】
C20 H21 Cl N2 O S3
【MolWeight】
437.05
【Inchi】
InChI=1S/C20H21ClN2OS3/c1-20(2,13-24)10-9-16-7-8-17(27-16)18-23(11-12-26-18)19(25)22-15-5-3-14(21)4-6-15/h3-8,18,24H,11-13H2,1-2H3,(H,22,25)
【InChIKey】
InChIKey=NZHMPFVKDZOPRQ-UHFFFAOYSA-N
【SMILES】
CC(C)(CO)C#Cc1ccc(s1)C2N(CCS2)C(=S)Nc3ccc(cc3)Cl
【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,N-(4-CHLOROPHENYL)-2-[5-(4-HYDROXY-3,3-DIMETHYL-1-BUTYNYL)-2-THIENYL]-.cml