200,000+ products from a single source!
sales@angenechem.com
89000-16-8 | 2,4(1H,3H)-Pyrimidinedione, 5-[(2-pyridinylthio)methyl]-
CAS No: 89000-16-8 Catalog No: AG00455G MDL No:
Product Description
Catalog Number:
AG00455G
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-[(2-pyridinylthio)methyl]-
CAS Number:
89000-16-8
Molecular Formula:
C10H9N3O2S
Molecular Weight:
235.2624
IUPAC Name:
5-(pyridin-2-ylsulfanylmethyl)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C10H9N3O2S/c14-9-7(5-12-10(15)13-9)6-16-8-3-1-2-4-11-8/h1-5H,6H2,(H2,12,13,14,15)
InChI Key:
SCDOHNUIFFTWQO-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)[nH]cc1CSc1ccccn1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.261g/mol
Monoisotopic Mass:
235.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Related Products
© 2019 Angene International Limited. All rights Reserved.