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Home > Pyridines > 473908-87-1
473908-87-1 | 3-(2-isothiocyanatoethyl)pyridine
CAS No: 473908-87-1 Catalog No: AG01AA15 MDL No:MFCD12766370
Product Description
Catalog Number:
AG01AA15
Chemical Name:
3-(2-isothiocyanatoethyl)pyridine
CAS Number:
473908-87-1
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
MDL Number:
MFCD12766370
IUPAC Name:
3-(2-isothiocyanatoethyl)pyridine
InChI:
InChI=1S/C8H8N2S/c11-7-10-5-3-8-2-1-4-9-6-8/h1-2,4,6H,3,5H2
InChI Key:
UNNRVGYIWGQTGD-UHFFFAOYSA-N
SMILES:
S=C=NCCc1cccnc1
Properties
Complexity:
152
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:
3
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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