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20174-62-3 | 4-Thiazolidinone, 5-methyl-3-(3-methylphenyl)-2-thioxo-
CAS No: 20174-62-3 Catalog No: AG0027T8 MDL No:
Product Description
Catalog Number:
AG0027T8
Chemical Name:
4-Thiazolidinone, 5-methyl-3-(3-methylphenyl)-2-thioxo-
CAS Number:
20174-62-3
Molecular Formula:
C11H11NOS2
Molecular Weight:
237.3411
IUPAC Name:
5-methyl-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H11NOS2/c1-7-4-3-5-9(6-7)12-10(13)8(2)15-11(12)14/h3-6,8H,1-2H3
InChI Key:
MEBYPABBRRKTFH-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)N1C(=S)SC(C1=O)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.335g/mol
Monoisotopic Mass:
237.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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