200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 477856-82-9
477856-82-9 | 2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetonitrile
CAS No: 477856-82-9 Catalog No: AG00IPR8 MDL No:MFCD02082755
Product Description
Catalog Number:
AG00IPR8
Chemical Name:
2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetonitrile
CAS Number:
477856-82-9
Molecular Formula:
C9H6N4OS
Molecular Weight:
218.2351
MDL Number:
MFCD02082755
IUPAC Name:
2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetonitrile
InChI:
InChI=1S/C9H6N4OS/c10-3-6-15-9-13-12-8(14-9)7-1-4-11-5-2-7/h1-2,4-5H,6H2
InChI Key:
BQBFBVQOTLDPFY-UHFFFAOYSA-N
SMILES:
N#CCSc1nnc(o1)c1ccncc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.026g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.234g/mol
Monoisotopic Mass:
218.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.