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23538-06-9 | 4-Thiazolidinone, 3-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-thioxo-
CAS No: 23538-06-9 Catalog No: AG002NM2 MDL No:
Product Description
Catalog Number:
AG002NM2
Chemical Name:
4-Thiazolidinone, 3-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-thioxo-
CAS Number:
23538-06-9
Molecular Formula:
C13H15NO3S2
Molecular Weight:
297.3931
IUPAC Name:
3-[(3,4-dimethoxyphenyl)methyl]-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H15NO3S2/c1-8-12(15)14(13(18)19-8)7-9-4-5-10(16-2)11(6-9)17-3/h4-6,8H,7H2,1-3H3
InChI Key:
LPNTXMJPOZSTGU-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CN1C(=S)SC(C1=O)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.049g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.387g/mol
Monoisotopic Mass:
297.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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