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127378-77-2 | 4-Thiazolidinone, 5-[[3-(1-methylethoxy)phenyl]methylene]-2-thioxo-
CAS No: 127378-77-2 Catalog No: AG000X0I MDL No:MFCD04054644
Product Description
Catalog Number:
AG000X0I
Chemical Name:
4-Thiazolidinone, 5-[[3-(1-methylethoxy)phenyl]methylene]-2-thioxo-
CAS Number:
127378-77-2
Molecular Formula:
C13H13NO2S2
Molecular Weight:
279.3778
MDL Number:
MFCD04054644
IUPAC Name:
(5E)-5-[(3-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H13NO2S2/c1-8(2)16-10-5-3-4-9(6-10)7-11-12(15)14-13(17)18-11/h3-8H,1-2H3,(H,14,15,17)/b11-7+
InChI Key:
OMFWLYLAOJXAOG-YRNVUSSQSA-N
SMILES:
CC(Oc1cccc(c1)C=C1SC(=S)NC1=O)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
279.039g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.372g/mol
Monoisotopic Mass:
279.039g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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