2-amino-3,7-dihydropurine-6-(35S)thione

C5H5N5S — CID 76964418

IUPAC2-amino-3,7-dihydropurine-6-(35S)thione
SMILESNc1nc(=[35S])c2[nH]cnc2[nH]1
InChIInChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)/i11+3
InChIKeyWYWHKKSPHMUBEB-VTVVGURUSA-N
MW170.10 g/mol
LogP0.60
Rot. Bonds

About 2-amino-3,7-dihydropurine-6-(35S)thione

2-amino-3,7-dihydropurine-6-(35S)thione (PubChem CID 76964418) has the molecular formula C5H5N5S and a molecular weight of 170.10 g/mol. Its IUPAC name is 2-amino-3,7-dihydropurine-6-(35S)thione.

Molecular Properties

Compound Name2-amino-3,7-dihydropurine-6-(35S)thione
PubChem CID76964418
Molecular FormulaC5H5N5S
Molecular Weight170.10 g/mol
Exact Mass170.02
IUPAC Name2-amino-3,7-dihydropurine-6-(35S)thione
SMILESNc1nc(=[35S])c2[nH]cnc2[nH]1
InChIInChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)/i11+3
InChIKeyWYWHKKSPHMUBEB-VTVVGURUSA-N
XLogP0.60
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.10
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,7-dihydropurine-6-(35S)thione?
The IUPAC name of 2-amino-3,7-dihydropurine-6-(35S)thione (CID 76964418) is 2-amino-3,7-dihydropurine-6-(35S)thione.
What is the SMILES notation for 2-amino-3,7-dihydropurine-6-(35S)thione?
The canonical SMILES for 2-amino-3,7-dihydropurine-6-(35S)thione is Nc1nc(=[35S])c2[nH]cnc2[nH]1.
What is the InChIKey of 2-amino-3,7-dihydropurine-6-(35S)thione?
The InChIKey is WYWHKKSPHMUBEB-VTVVGURUSA-N. The full InChI is InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)/i11+3.
What are the key properties of 2-amino-3,7-dihydropurine-6-(35S)thione?
2-amino-3,7-dihydropurine-6-(35S)thione has a molecular weight of 170.10 g/mol, XLogP of 0.60, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,7-dihydropurine-6-(35S)thione is sourced from PubChem (CID 76964418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).