200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 165283-95-4
165283-95-4 | 3-Pyridinecarbonitrile, 5-acetyl-1,2-dihydro-6-methyl-2-thioxo-
CAS No: 165283-95-4 Catalog No: AG001W1B MDL No:MFCD00793162
Product Description
Catalog Number:
AG001W1B
Chemical Name:
3-Pyridinecarbonitrile, 5-acetyl-1,2-dihydro-6-methyl-2-thioxo-
CAS Number:
165283-95-4
Molecular Formula:
C9H8N2OS
Molecular Weight:
192.2376
MDL Number:
MFCD00793162
IUPAC Name:
5-acetyl-6-methyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C9H8N2OS/c1-5-8(6(2)12)3-7(4-10)9(13)11-5/h3H,1-2H3,(H,11,13)
InChI Key:
MFUHJRMKUDAMIC-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C(=O)C)c([nH]c1=S)C
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.236g/mol
Monoisotopic Mass:
192.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Related Products
© 2019 Angene International Limited. All rights Reserved.