6-(7H-purin-6-ylsulfanyl)-7H-purine

C10H6N8S — CID 5192092

IUPAC6-(7H-purin-6-ylsulfanyl)-7H-purine
SMILESc1nc(Sc2ncnc3nc[nH]c23)c2[nH]cnc2n1
InChIInChI=1S/C10H6N8S/c1-11-5-7(13-1)15-3-17-9(5)19-10-6-8(14-2-12-6)16-4-18-10/h1-4H,(H,11,13,15,17)(H,12,14,16,18)
InChIKeyRRQKBHIMPMKQDM-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.17
Rot. Bonds2

About 6-(7H-purin-6-ylsulfanyl)-7H-purine

6-(7H-purin-6-ylsulfanyl)-7H-purine (PubChem CID 5192092) has the molecular formula C10H6N8S and a molecular weight of 270.28 g/mol. Its IUPAC name is 6-(7H-purin-6-ylsulfanyl)-7H-purine.

Molecular Properties

Compound Name6-(7H-purin-6-ylsulfanyl)-7H-purine
PubChem CID5192092
Molecular FormulaC10H6N8S
Molecular Weight270.28 g/mol
Exact Mass270.04
IUPAC Name6-(7H-purin-6-ylsulfanyl)-7H-purine
SMILESc1nc(Sc2ncnc3nc[nH]c23)c2[nH]cnc2n1
InChIInChI=1S/C10H6N8S/c1-11-5-7(13-1)15-3-17-9(5)19-10-6-8(14-2-12-6)16-4-18-10/h1-4H,(H,11,13,15,17)(H,12,14,16,18)
InChIKeyRRQKBHIMPMKQDM-UHFFFAOYSA-N
XLogP1.17
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(7H-purin-6-ylsulfanyl)-7H-purine?
The IUPAC name of 6-(7H-purin-6-ylsulfanyl)-7H-purine (CID 5192092) is 6-(7H-purin-6-ylsulfanyl)-7H-purine.
What is the SMILES notation for 6-(7H-purin-6-ylsulfanyl)-7H-purine?
The canonical SMILES for 6-(7H-purin-6-ylsulfanyl)-7H-purine is c1nc(Sc2ncnc3nc[nH]c23)c2[nH]cnc2n1.
What is the InChIKey of 6-(7H-purin-6-ylsulfanyl)-7H-purine?
The InChIKey is RRQKBHIMPMKQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N8S/c1-11-5-7(13-1)15-3-17-9(5)19-10-6-8(14-2-12-6)16-4-18-10/h1-4H,(H,11,13,15,17)(H,12,14,16,18).
What are the key properties of 6-(7H-purin-6-ylsulfanyl)-7H-purine?
6-(7H-purin-6-ylsulfanyl)-7H-purine has a molecular weight of 270.28 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7H-purin-6-ylsulfanyl)-7H-purine is sourced from PubChem (CID 5192092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).