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124777-71-5 | 4-Thiazolidinone, 3-amino-5-[(4-methylphenyl)methylene]-2-thioxo-
CAS No: 124777-71-5 Catalog No: AG000MQC MDL No:
Product Description
Catalog Number:
AG000MQC
Chemical Name:
4-Thiazolidinone, 3-amino-5-[(4-methylphenyl)methylene]-2-thioxo-
CAS Number:
124777-71-5
Molecular Formula:
C11H10N2OS2
Molecular Weight:
250.3399
IUPAC Name:
3-amino-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H10N2OS2/c1-7-2-4-8(5-3-7)6-9-10(14)13(12)11(15)16-9/h2-6H,12H2,1H3
InChI Key:
SVODAUGMWZCOGI-UHFFFAOYSA-N
SMILES:
NN1C(=S)SC(=Cc2ccc(cc2)C)C1=O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.023g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.334g/mol
Monoisotopic Mass:
250.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.6
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