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1048919-76-1 | 3-Isothiocyanato-2,6-dimethyl-pyridine
CAS No: 1048919-76-1 Catalog No: AG01FCIG MDL No:
Product Description
Catalog Number:
AG01FCIG
Chemical Name:
3-Isothiocyanato-2,6-dimethyl-pyridine
CAS Number:
1048919-76-1
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
IUPAC Name:
3-isothiocyanato-2,6-dimethylpyridine
InChI:
InChI=1S/C8H8N2S/c1-6-3-4-8(9-5-11)7(2)10-6/h3-4H,1-2H3
InChI Key:
JFFWDTFSNPVLLS-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(nc1C)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.041g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.226g/mol
Monoisotopic Mass:
164.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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