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132817-07-3 | 3,4-Pyridinedithiol, 2,5,6-trichloro-
CAS No: 132817-07-3 Catalog No: AG00117I MDL No:
Product Description
Catalog Number:
AG00117I
Chemical Name:
3,4-Pyridinedithiol, 2,5,6-trichloro-
CAS Number:
132817-07-3
Molecular Formula:
C5H2Cl3NS2
Molecular Weight:
246.5651
IUPAC Name:
2,3,6-trichloro-5-sulfanyl-1H-pyridine-4-thione
InChI:
InChI=1S/C5H2Cl3NS2/c6-1-2(10)3(11)5(8)9-4(1)7/h11H,(H,9,10)
InChI Key:
MXPXJHFHXOBBEU-UHFFFAOYSA-N
SMILES:
Sc1c(Cl)nc(c(c1S)Cl)Cl
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.869g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.548g/mol
Monoisotopic Mass:
244.869g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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