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590379-00-3 | 3-Thiazolidinecarbothioamide,N-(4-ethoxyphenyl)-2-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]-(9CI)
CAS No: 590379-00-3 Catalog No: AG00F2WR MDL No:
Product Description
Catalog Number:
AG00F2WR
Chemical Name:
3-Thiazolidinecarbothioamide,N-(4-ethoxyphenyl)-2-[4-(3-hydroxy-3-methyl-1-butynyl)phenyl]-(9CI)
CAS Number:
590379-00-3
IUPAC Name:
N-(4-ethoxyphenyl)-2-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-1,3-thiazolidine-3-carbothioamide
InChI:
InChI=1S/C23H26N2O2S2/c1-4-27-20-11-9-19(10-12-20)24-22(28)25-15-16-29-21(25)18-7-5-17(6-8-18)13-14-23(2,3)26/h5-12,21,26H,4,15-16H2,1-3H3,(H,24,28)
InChI Key:
FZKUROQPEBOIFY-UHFFFAOYSA-N
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.144g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
426.593g/mol
Monoisotopic Mass:
426.144g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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