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82158-60-9 | 3-Thiazolidineaceticacid, 4-oxo-5-(3-pyridinylmethylene)-2-thioxo-
CAS No: 82158-60-9 Catalog No: AG0050ZM MDL No:
Product Description
Catalog Number:
AG0050ZM
Chemical Name:
3-Thiazolidineaceticacid, 4-oxo-5-(3-pyridinylmethylene)-2-thioxo-
CAS Number:
82158-60-9
Molecular Formula:
C11H8N2O3S2
Molecular Weight:
280.3228
IUPAC Name:
2-[4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
InChI:
InChI=1S/C11H8N2O3S2/c14-9(15)6-13-10(16)8(18-11(13)17)4-7-2-1-3-12-5-7/h1-5H,6H2,(H,14,15)
InChI Key:
QWRNANMPPBNWBS-UHFFFAOYSA-N
SMILES:
OC(=O)CN1C(=S)SC(=Cc2cccnc2)C1=O
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.998g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.316g/mol
Monoisotopic Mass:
279.998g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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