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127378-16-9 | 4-Thiazolidinone, 5-[(2,3-dimethoxyphenyl)methylene]-2-thioxo-
CAS No: 127378-16-9 Catalog No: AG000X0P MDL No:
Product Description
Catalog Number:
AG000X0P
Chemical Name:
4-Thiazolidinone, 5-[(2,3-dimethoxyphenyl)methylene]-2-thioxo-
CAS Number:
127378-16-9
Molecular Formula:
C12H11NO3S2
Molecular Weight:
281.3506
IUPAC Name:
5-[(2,3-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H11NO3S2/c1-15-8-5-3-4-7(10(8)16-2)6-9-11(14)13-12(17)18-9/h3-6H,1-2H3,(H,13,14,17)
InChI Key:
DCFBHAYQQWSRFH-UHFFFAOYSA-N
SMILES:
COc1c(C=C2SC(=S)NC2=O)cccc1OC
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.018g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.344g/mol
Monoisotopic Mass:
281.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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