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143663-06-3 | 2-Thiazolidinethione, 3-(1,4-dioxo-4-phenylbutyl)-
CAS No: 143663-06-3 Catalog No: AG007YN5 MDL No:
Product Description
Catalog Number:
AG007YN5
Chemical Name:
2-Thiazolidinethione, 3-(1,4-dioxo-4-phenylbutyl)-
CAS Number:
143663-06-3
Molecular Formula:
C13H13NO2S2
Molecular Weight:
279.3778
IUPAC Name:
1-phenyl-4-(2-sulfanylidene-1,3-thiazolidin-3-yl)butane-1,4-dione
InChI:
InChI=1S/C13H13NO2S2/c15-11(10-4-2-1-3-5-10)6-7-12(16)14-8-9-18-13(14)17/h1-5H,6-9H2
InChI Key:
PLJVBNOGQLMEPG-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CCC(=O)N1CCSC1=S
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.039g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.372g/mol
Monoisotopic Mass:
279.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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