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144709-90-0 | 1H-Purine, 6,6'-dithiobis[6,7-dihydro- (9CI)
CAS No: 144709-90-0 Catalog No: AG001K1C MDL No:
Product Description
Catalog Number:
AG001K1C
Chemical Name:
1H-Purine, 6,6'-dithiobis[6,7-dihydro- (9CI)
CAS Number:
144709-90-0
Molecular Formula:
C10H10N8S2
Molecular Weight:
306.3700
IUPAC Name:
6-(6,7-dihydro-3H-purin-6-yldisulfanyl)-6,7-dihydro-3H-purine
InChI:
InChI=1S/C10H10N8S2/c1-11-5-7(13-1)15-3-17-9(5)19-20-10-6-8(14-2-12-6)16-4-18-10/h1-4,9-10H,(H,11,13)(H,12,14)(H,15,17)(H,16,18)
InChI Key:
GBOSHCSBURLTEI-UHFFFAOYSA-N
SMILES:
S(C1NC=Nc2c1[nH]cn2)SC1NC=Nc2c1[nH]cn2
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.047g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
306.366g/mol
Monoisotopic Mass:
306.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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