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127378-28-3 | 4-Thiazolidinone, 5-[[4-(methylthio)phenyl]methylene]-2-thioxo-
CAS No: 127378-28-3 Catalog No: AG000X0K MDL No:MFCD04969043
Product Description
Catalog Number:
AG000X0K
Chemical Name:
4-Thiazolidinone, 5-[[4-(methylthio)phenyl]methylene]-2-thioxo-
CAS Number:
127378-28-3
Molecular Formula:
C11H9NOS3
Molecular Weight:
267.3903
MDL Number:
MFCD04969043
IUPAC Name:
(5E)-5-[(4-methylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H9NOS3/c1-15-8-4-2-7(3-5-8)6-9-10(13)12-11(14)16-9/h2-6H,1H3,(H,12,13,14)/b9-6+
InChI Key:
SEIFTQHMDCKSIB-RMKNXTFCSA-N
SMILES:
CSc1ccc(cc1)C=C1SC(=S)NC1=O
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
266.985g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.379g/mol
Monoisotopic Mass:
266.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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