200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 113512-14-4
113512-14-4 | 1H-Purine-2,6-dione, 3,7-dihydro-8-[(2-hydroxyethyl)thio]-3,7-dimethyl-
CAS No: 113512-14-4 Catalog No: AG0008UC MDL No:
Product Description
Catalog Number:
AG0008UC
Chemical Name:
1H-Purine-2,6-dione, 3,7-dihydro-8-[(2-hydroxyethyl)thio]-3,7-dimethyl-
CAS Number:
113512-14-4
Molecular Formula:
C9H12N4O3S
Molecular Weight:
256.2816
IUPAC Name:
8-(2-hydroxyethylsulfanyl)-3,7-dimethylpurine-2,6-dione
InChI:
InChI=1S/C9H12N4O3S/c1-12-5-6(10-9(12)17-4-3-14)13(2)8(16)11-7(5)15/h14H,3-4H2,1-2H3,(H,11,15,16)
InChI Key:
ONYAHIBWAGPFSO-UHFFFAOYSA-N
SMILES:
OCCSc1nc2c(n1C)c(=O)[nH]c(=O)n2C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.28g/mol
Monoisotopic Mass:
256.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.