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Home > Pyridines > 860427-21-0
860427-21-0 | 5-isothiocyanato-2-methylpyridine
CAS No: 860427-21-0 Catalog No: AG01E23M MDL No:MFCD24124913
Product Description
Catalog Number:
AG01E23M
Chemical Name:
5-isothiocyanato-2-methylpyridine
CAS Number:
860427-21-0
Molecular Formula:
C7H6N2S
Molecular Weight:
150.2009
MDL Number:
MFCD24124913
IUPAC Name:
5-isothiocyanato-2-methylpyridine
InChI:
InChI=1S/C7H6N2S/c1-6-2-3-7(4-8-6)9-5-10/h2-4H,1H3
InChI Key:
NBAODYMCMUGIBS-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(nc1)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.199g/mol
Monoisotopic Mass:
150.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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