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100393-19-9 | 4-Thiazolidinone, 5-[[4-(1-methylethyl)phenyl]methylene]-2-thioxo-
CAS No: 100393-19-9 Catalog No: AG0001VB MDL No:MFCD04969047
Product Description
Catalog Number:
AG0001VB
Chemical Name:
4-Thiazolidinone, 5-[[4-(1-methylethyl)phenyl]methylene]-2-thioxo-
CAS Number:
100393-19-9
Molecular Formula:
C13H13NOS2
Molecular Weight:
263.3784
MDL Number:
MFCD04969047
IUPAC Name:
(5E)-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C13H13NOS2/c1-8(2)10-5-3-9(4-6-10)7-11-12(15)14-13(16)17-11/h3-8H,1-2H3,(H,14,15,16)/b11-7+
InChI Key:
ZLKBBUUMEJPMIP-YRNVUSSQSA-N
SMILES:
CC(c1ccc(cc1)C=C1SC(=S)NC1=O)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
263.044g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.373g/mol
Monoisotopic Mass:
263.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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