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23517-58-0 | 4-Thiazolidinone, 3-(3-chloro-4-iodophenyl)-5-methyl-2-thioxo-
CAS No: 23517-58-0 Catalog No: AG002NJN MDL No:
Product Description
Catalog Number:
AG002NJN
Chemical Name:
4-Thiazolidinone, 3-(3-chloro-4-iodophenyl)-5-methyl-2-thioxo-
CAS Number:
23517-58-0
Molecular Formula:
C10H7ClINOS2
Molecular Weight:
383.6561
IUPAC Name:
3-(3-chloro-4-iodophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C10H7ClINOS2/c1-5-9(14)13(10(15)16-5)6-2-3-8(12)7(11)4-6/h2-5H,1H3
InChI Key:
COZLMIONBWJOIL-UHFFFAOYSA-N
SMILES:
S=C1SC(C(=O)N1c1ccc(c(c1)Cl)I)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.87g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.646g/mol
Monoisotopic Mass:
382.87g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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