200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89079-59-4
89079-59-4 | 5-Pyrimidinecarbonitrile, 1,4-dihydro-2-(methylthio)-4-phenyl-
CAS No: 89079-59-4 Catalog No: AG0040C5 MDL No:
Product Description
Catalog Number:
AG0040C5
Chemical Name:
5-Pyrimidinecarbonitrile, 1,4-dihydro-2-(methylthio)-4-phenyl-
CAS Number:
89079-59-4
Molecular Formula:
C12H11N3S
Molecular Weight:
229.3008
IUPAC Name:
2-methylsulfanyl-4-phenyl-1,4-dihydropyrimidine-5-carbonitrile
InChI:
InChI=1S/C12H11N3S/c1-16-12-14-8-10(7-13)11(15-12)9-5-3-2-4-6-9/h2-6,8,11H,1H3,(H,14,15)
InChI Key:
RSFCZXOGPDZMHO-UHFFFAOYSA-N
SMILES:
CSC1=NC(C(=CN1)C#N)c1ccccc1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.301g/mol
Monoisotopic Mass:
229.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.