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23522-22-7

23522-22-7 | 4-Thiazolidinone, 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-thioxo-

CAS No: 23522-22-7 Catalog No: AG002NK3 MDL No:

Product Description

Catalog Number:
AG002NK3
Chemical Name:
4-Thiazolidinone, 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-thioxo-
CAS Number:
23522-22-7
Molecular Formula:
C15H19NO3S2
Molecular Weight:
325.4463
IUPAC Name:
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C15H19NO3S2/c1-4-13-14(17)16(15(20)21-13)8-7-10-5-6-11(18-2)12(9-10)19-3/h5-6,9,13H,4,7-8H2,1-3H3
InChI Key:
QWHCKXMMUNILEB-UHFFFAOYSA-N
SMILES:
CCC1SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC

Properties

Complexity:
391  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.081g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.441g/mol
Monoisotopic Mass:
325.081g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  

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