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590379-25-2 | 3-Thiazolidinecarbothioamide,2-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]-N-phenyl-(9CI)
CAS No: 590379-25-2 Catalog No: AG00F2XH MDL No:
Product Description
Catalog Number:
AG00F2XH
Chemical Name:
3-Thiazolidinecarbothioamide,2-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]-N-phenyl-(9CI)
CAS Number:
590379-25-2
IUPAC Name:
2-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-N-phenyl-1,3-thiazolidine-3-carbothioamide
InChI:
InChI=1S/C21H22N2OS2/c1-21(2,24)13-12-16-8-10-17(11-9-16)19-23(14-15-26-19)20(25)22-18-6-4-3-5-7-18/h3-11,19,24H,14-15H2,1-2H3,(H,22,25)
InChI Key:
WZALPTJZAHLRKP-UHFFFAOYSA-N
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.117g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
382.54g/mol
Monoisotopic Mass:
382.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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