200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 6956-26-9
6956-26-9 | 2H-Purin-2-one,3,7,8,9-tetrahydro-8-thioxo-
CAS No: 6956-26-9 Catalog No: AG005KSN MDL No:
Product Description
Catalog Number:
AG005KSN
Chemical Name:
2H-Purin-2-one,3,7,8,9-tetrahydro-8-thioxo-
CAS Number:
6956-26-9
Molecular Formula:
C5H4N4OS
Molecular Weight:
168.1765
IUPAC Name:
8-sulfanylidene-7,9-dihydro-3H-purin-2-one
InChI:
InChI=1S/C5H4N4OS/c10-4-6-1-2-3(8-4)9-5(11)7-2/h1H,(H3,6,7,8,9,10,11)
InChI Key:
DZZLCZMLEUOGER-UHFFFAOYSA-N
SMILES:
Oc1nc2[nH]c(=S)[nH]c2cn1
NSC Number:
65007
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.011g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
168.174g/mol
Monoisotopic Mass:
168.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.