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23538-07-0 | 4-Thiazolidinone, 3-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-2-thioxo-
CAS No: 23538-07-0 Catalog No: AG002NM1 MDL No:
Product Description
Catalog Number:
AG002NM1
Chemical Name:
4-Thiazolidinone, 3-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-2-thioxo-
CAS Number:
23538-07-0
Molecular Formula:
C14H17NO3S2
Molecular Weight:
311.4197
IUPAC Name:
3-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C14H17NO3S2/c1-4-12-13(16)15(14(19)20-12)8-9-5-6-10(17-2)11(7-9)18-3/h5-7,12H,4,8H2,1-3H3
InChI Key:
VEAMJGBDKDCNFI-UHFFFAOYSA-N
SMILES:
CCC1SC(=S)N(C1=O)Cc1ccc(c(c1)OC)OC
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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