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590380-35-1 | 3-Thiazolidinecarbothioamide,2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]-N-(4-methoxyphenyl)-(9CI)
CAS No: 590380-35-1 Catalog No: AG00F2Y5 MDL No:
Product Description
Catalog Number:
AG00F2Y5
Chemical Name:
3-Thiazolidinecarbothioamide,2-[5-(4-hydroxy-3,3-dimethyl-1-butynyl)-2-thienyl]-N-(4-methoxyphenyl)-(9CI)
CAS Number:
590380-35-1
IUPAC Name:
2-[5-(4-hydroxy-3,3-dimethylbut-1-ynyl)thiophen-2-yl]-N-(4-methoxyphenyl)-1,3-thiazolidine-3-carbothioamide
InChI:
InChI=1S/C21H24N2O2S3/c1-21(2,14-24)11-10-17-8-9-18(28-17)19-23(12-13-27-19)20(26)22-15-4-6-16(25-3)7-5-15/h4-9,19,24H,12-14H2,1-3H3,(H,22,26)
InChI Key:
YBLLQEQPTQRKAP-UHFFFAOYSA-N
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.1g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
432.615g/mol
Monoisotopic Mass:
432.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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