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23522-24-9

23522-24-9 | 4-Thiazolidinone, 3-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-2-thioxo-

CAS No: 23522-24-9 Catalog No: AG002NK2 MDL No:

Product Description

Catalog Number:
AG002NK2
Chemical Name:
4-Thiazolidinone, 3-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-2-thioxo-
CAS Number:
23522-24-9
Molecular Formula:
C16H21NO3S2
Molecular Weight:
339.4728
IUPAC Name:
3-[2-(3,4-diethoxyphenyl)ethyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C16H21NO3S2/c1-4-19-13-7-6-12(10-14(13)20-5-2)8-9-17-15(18)11(3)22-16(17)21/h6-7,10-11H,4-5,8-9H2,1-3H3
InChI Key:
PBDMNLKYZPGPAT-UHFFFAOYSA-N
SMILES:
CCOc1cc(CCN2C(=S)SC(C2=O)C)ccc1OCC

Properties

Complexity:
405  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.096g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.468g/mol
Monoisotopic Mass:
339.096g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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