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590380-11-3 | 3-Thiazolidinecarbothioamide,2-[5-(3-hydroxy-3-methyl-1-butynyl)-2-thienyl]-N-(4-methylphenyl)-(9CI)
CAS No: 590380-11-3 Catalog No: AG00F2Y2 MDL No:
Product Description
Catalog Number:
AG00F2Y2
Chemical Name:
3-Thiazolidinecarbothioamide,2-[5-(3-hydroxy-3-methyl-1-butynyl)-2-thienyl]-N-(4-methylphenyl)-(9CI)
CAS Number:
590380-11-3
IUPAC Name:
2-[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]-N-(4-methylphenyl)-1,3-thiazolidine-3-carbothioamide
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)
InChI Key:
SQZGDVOBPVWXLF-UHFFFAOYSA-N
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.089g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
402.589g/mol
Monoisotopic Mass:
402.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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