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876489-82-6 | 2(1H)-Pyridinethione,3-iodo-5-nitro-
CAS No: 876489-82-6 Catalog No: AG004KWE MDL No:
Product Description
Catalog Number:
AG004KWE
Chemical Name:
2(1H)-Pyridinethione,3-iodo-5-nitro-
CAS Number:
876489-82-6
Molecular Formula:
C5H3IN2O2S
Molecular Weight:
282.0590
IUPAC Name:
3-iodo-5-nitro-1H-pyridine-2-thione
InChI:
InChI=1S/C5H3IN2O2S/c6-4-1-3(8(9)10)2-7-5(4)11/h1-2H,(H,7,11)
InChI Key:
XOWZPOHVAGUMJP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(c(c1)I)S
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.896g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.055g/mol
Monoisotopic Mass:
281.896g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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