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Home > Pyridines > 176770-64-2
176770-64-2 | Pyridine, 2-[(2-isocyanatoethyl)dithio]-
CAS No: 176770-64-2 Catalog No: AG0024W4 MDL No:
Product Description
Catalog Number:
AG0024W4
Chemical Name:
Pyridine, 2-[(2-isocyanatoethyl)dithio]-
CAS Number:
176770-64-2
Molecular Formula:
C8H8N2OS2
Molecular Weight:
212.2919
IUPAC Name:
2-(2-isocyanatoethyldisulfanyl)pyridine
InChI:
InChI=1S/C8H8N2OS2/c11-7-9-5-6-12-13-8-3-1-2-4-10-8/h1-4H,5-6H2
InChI Key:
NQFHXLMVVQSFME-UHFFFAOYSA-N
SMILES:
O=C=NCCSSc1ccccn1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.285g/mol
Monoisotopic Mass:
212.008g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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