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23522-21-6 | 4-Thiazolidinone, 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-2-thioxo-
CAS No: 23522-21-6 Catalog No: AG002NK4 MDL No:
Product Description
Catalog Number:
AG002NK4
Chemical Name:
4-Thiazolidinone, 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-2-thioxo-
CAS Number:
23522-21-6
Molecular Formula:
C14H17NO3S2
Molecular Weight:
311.4197
IUPAC Name:
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C14H17NO3S2/c1-9-13(16)15(14(19)20-9)7-6-10-4-5-11(17-2)12(8-10)18-3/h4-5,8-9H,6-7H2,1-3H3
InChI Key:
VJCUUIJOMOFSRV-UHFFFAOYSA-N
SMILES:
COc1cc(CCN2C(=S)SC(C2=O)C)ccc1OC
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.065g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.414g/mol
Monoisotopic Mass:
311.065g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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