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23517-63-7 | 4-Thiazolidinone, 3-(4-bromo-2-methylphenyl)-5-methyl-2-thioxo-
CAS No: 23517-63-7 Catalog No: AG002NJK MDL No:
Product Description
Catalog Number:
AG002NJK
Chemical Name:
4-Thiazolidinone, 3-(4-bromo-2-methylphenyl)-5-methyl-2-thioxo-
CAS Number:
23517-63-7
Molecular Formula:
C11H10BrNOS2
Molecular Weight:
316.2372
IUPAC Name:
3-(4-bromo-2-methylphenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H10BrNOS2/c1-6-5-8(12)3-4-9(6)13-10(14)7(2)16-11(13)15/h3-5,7H,1-2H3
InChI Key:
NUVSMIWXZZEJEO-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C)N1C(=S)SC(C1=O)C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.939g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.231g/mol
Monoisotopic Mass:
314.939g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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