590380-11-3
3-THIAZOLIDINECARBOTHIOAMIDE,2-[5-(3-HYDROXY-3-METHYL-1-BUTYNYL)-2-THIENYL]-N-(4-METHYLPHENYL)-
Name3-THIAZOLIDINECARBOTHIOAMIDE,2-[5-(3-HYDROXY-3-METHYL-1-BUTYNYL)-2-THIENYL]-N-(4-METHYLPHENYL)-
1Identification
【Name】
3-THIAZOLIDINECARBOTHIOAMIDE,2-[5-(3-HYDROXY-3-METHYL-1-BUTYNYL)-2-THIENYL]-N-(4-METHYLPHENYL)-
【CAS】
【MDL】
MFCD03916450
【English Synonyms】
【Formula】
C20 H22 N2 O S3
【MolWeight】
402.605
【Inchi】
InChI=1S/C20H22N2OS3/c1-14-4-6-15(7-5-14)21-19(24)22-12-13-25-18(22)17-9-8-16(26-17)10-11-20(2,3)23/h4-9,18,23H,12-13H2,1-3H3,(H,21,24)
【InChIKey】
InChIKey=SQZGDVOBPVWXLF-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)NC(=S)N2CCSC2c3ccc(s3)C#CC(C)(C)O
【MOL File】
3-THIAZOLIDINECARBOT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-THIAZOLIDINECARBOTHIOAMIDE,2-[5-(3-HYDROXY-3-METHYL-1-BUTYNYL)-2-THIENYL]-N-(4-METHYLPHENYL)-.cml