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1784-68-5 | 6H-Purin-6-one, 1,2,3,7,8,9-hexahydro-1,3-dimethyl-2,8-dithioxo-
CAS No: 1784-68-5 Catalog No: AG00260B MDL No:
Product Description
Catalog Number:
AG00260B
Chemical Name:
6H-Purin-6-one, 1,2,3,7,8,9-hexahydro-1,3-dimethyl-2,8-dithioxo-
CAS Number:
1784-68-5
Molecular Formula:
C7H8N4OS2
Molecular Weight:
228.2946
IUPAC Name:
1,3-dimethyl-2,8-bis(sulfanylidene)-7,9-dihydropurin-6-one
InChI:
InChI=1S/C7H8N4OS2/c1-10-4-3(8-6(13)9-4)5(12)11(2)7(10)14/h1-2H3,(H2,8,9,13)
InChI Key:
ICPOMCAMXKYSKE-UHFFFAOYSA-N
SMILES:
S=c1[nH]c2c([nH]1)c(=O)n(c(=S)n2C)C
NSC Number:
95852
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.014g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.288g/mol
Monoisotopic Mass:
228.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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