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93623-66-6 | 4-Thiazolidinone, 3-(2,6-dimethylphenyl)-2-thioxo-
CAS No: 93623-66-6 Catalog No: AG006ETQ MDL No:
Product Description
Catalog Number:
AG006ETQ
Chemical Name:
4-Thiazolidinone, 3-(2,6-dimethylphenyl)-2-thioxo-
CAS Number:
93623-66-6
Molecular Formula:
C11H11NOS2
Molecular Weight:
237.3411
IUPAC Name:
3-(2,6-dimethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H11NOS2/c1-7-4-3-5-8(2)10(7)12-9(13)6-15-11(12)14/h3-5H,6H2,1-2H3
InChI Key:
JQRTZAYDWXGENM-UHFFFAOYSA-N
SMILES:
O=C1CSC(=S)N1c1c(C)cccc1C
Properties
Complexity:
282
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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