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1020-71-9 | Pyridine, 4,4'-[dithiobis(methylene)]bis-
CAS No: 1020-71-9 Catalog No: AG0006A8 MDL No:
Product Description
Catalog Number:
AG0006A8
Chemical Name:
Pyridine, 4,4'-[dithiobis(methylene)]bis-
CAS Number:
1020-71-9
Molecular Formula:
C12H12N2S2
Molecular Weight:
248.3671
IUPAC Name:
4-[(pyridin-4-ylmethyldisulfanyl)methyl]pyridine
InChI:
InChI=1S/C12H12N2S2/c1-5-13-6-2-11(1)9-15-16-10-12-3-7-14-8-4-12/h1-8H,9-10H2
InChI Key:
DAVWLGVBAUGEOK-UHFFFAOYSA-N
SMILES:
S(Cc1ccncc1)SCc1ccncc1
UNII:
5JVO6RU58B
NSC Number:
92988
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.362g/mol
Monoisotopic Mass:
248.044g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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