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590379-01-4 | 3-Thiazolidinecarbothioamide,2-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]-N-(4-methylphenyl)-(9CI)
CAS No: 590379-01-4 Catalog No: AG00F2WS MDL No:
Product Description
Catalog Number:
AG00F2WS
Chemical Name:
3-Thiazolidinecarbothioamide,2-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]-N-(4-methylphenyl)-(9CI)
CAS Number:
590379-01-4
IUPAC Name:
2-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-N-(4-methylphenyl)-1,3-thiazolidine-3-carbothioamide
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)
InChI Key:
LEHMVARVLVQURD-UHFFFAOYSA-N
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.133g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
396.567g/mol
Monoisotopic Mass:
396.133g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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