200,000+ products from a single source!
sales@angenechem.com
147992-79-8 | 3-Pyridinecarbonitrile, 4-(dimethylamino)-1,2-dihydro-2-thioxo-
CAS No: 147992-79-8 Catalog No: AG001FCG MDL No:MFCD00563991
Product Description
Catalog Number:
AG001FCG
Chemical Name:
3-Pyridinecarbonitrile, 4-(dimethylamino)-1,2-dihydro-2-thioxo-
CAS Number:
147992-79-8
Molecular Formula:
C8H9N3S
Molecular Weight:
179.2422
MDL Number:
MFCD00563991
IUPAC Name:
4-(dimethylamino)-2-sulfanylidene-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C8H9N3S/c1-11(2)7-3-4-10-8(12)6(7)5-9/h3-4H,1-2H3,(H,10,12)
InChI Key:
CUOPYTHMNLDSCL-UHFFFAOYSA-N
SMILES:
N#Cc1c(=S)[nH]ccc1N(C)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.052g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.241g/mol
Monoisotopic Mass:
179.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.