200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 888968-35-2
888968-35-2 | 4-Pyridinecarbonitrile,2-[[3-(hydroxymethyl)phenyl]thio]-
CAS No: 888968-35-2 Catalog No: AG0049IX MDL No:
Product Description
Catalog Number:
AG0049IX
Chemical Name:
4-Pyridinecarbonitrile,2-[[3-(hydroxymethyl)phenyl]thio]-
CAS Number:
888968-35-2
Molecular Formula:
C13H10N2OS
Molecular Weight:
242.2963
IUPAC Name:
2-[3-(hydroxymethyl)phenyl]sulfanylpyridine-4-carbonitrile
InChI:
InChI=1S/C13H10N2OS/c14-8-10-4-5-15-13(7-10)17-12-3-1-2-11(6-12)9-16/h1-7,16H,9H2
InChI Key:
NGVDCAJRRJNDQB-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)Sc1nccc(c1)C#N
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.296g/mol
Monoisotopic Mass:
242.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.