6-amino-7H-purin-9-ide-8-thione;yttrium

C5H4N5SY- — CID 58893075

IUPAC6-amino-7H-purin-9-ide-8-thione;yttrium
SMILESNc1ncnc2[n-]c(=S)[nH]c12.[Y]
InChIInChI=1S/C5H5N5S.Y/c6-3-2-4(8-1-7-3)10-5(11)9-2;/h1H,(H4,6,7,8,9,10,11);/p-1
InChIKeyMFNPPPGHDHSHAX-UHFFFAOYSA-M
MW255.10 g/mol
LogP0.22
Rot. Bonds

About 6-amino-7H-purin-9-ide-8-thione;yttrium

6-amino-7H-purin-9-ide-8-thione;yttrium (PubChem CID 58893075) has the molecular formula C5H4N5SY- and a molecular weight of 255.10 g/mol. Its IUPAC name is 6-amino-7H-purin-9-ide-8-thione;yttrium.

Molecular Properties

Compound Name6-amino-7H-purin-9-ide-8-thione;yttrium
PubChem CID58893075
Molecular FormulaC5H4N5SY-
Molecular Weight255.10 g/mol
Exact Mass254.93
IUPAC Name6-amino-7H-purin-9-ide-8-thione;yttrium
SMILESNc1ncnc2[n-]c(=S)[nH]c12.[Y]
InChIInChI=1S/C5H5N5S.Y/c6-3-2-4(8-1-7-3)10-5(11)9-2;/h1H,(H4,6,7,8,9,10,11);/p-1
InChIKeyMFNPPPGHDHSHAX-UHFFFAOYSA-M
XLogP0.22
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Amino-7,9-dihydro-8H-purine-8-thione
CID 5354970
8-Hydroxyadenine
CID 5355054
2,6-Diamino-9H-purine-8-thiol
CID 5355144
7H-Purine-8-thiol
CID 4265275
4,5,6-Pyrimidinetriamine
CID 67049
Nsc7863
CID 4388546
2-chloro-9H-purin-8-yl hydrosulfide
CID 5355349
6-Amino-8,9-dihydro-7H-purin-8-YL
CID 447200
7-Methyl-8,9-dihydro-7H-purin-6-ylamine
CID 21868318
7,9-Dihydro-6-methyl-8H-purine-8-thione
CID 5385950
6-Amino-N-methyl-9H-purine-9-carbothioamide
CID 71371806
Methylpurinethiol
CID 6451228

Frequently Asked Questions

What is the IUPAC name of 6-amino-7H-purin-9-ide-8-thione;yttrium?
The IUPAC name of 6-amino-7H-purin-9-ide-8-thione;yttrium (CID 58893075) is 6-amino-7H-purin-9-ide-8-thione;yttrium.
What is the SMILES notation for 6-amino-7H-purin-9-ide-8-thione;yttrium?
The canonical SMILES for 6-amino-7H-purin-9-ide-8-thione;yttrium is Nc1ncnc2[n-]c(=S)[nH]c12.[Y].
What is the InChIKey of 6-amino-7H-purin-9-ide-8-thione;yttrium?
The InChIKey is MFNPPPGHDHSHAX-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5N5S.Y/c6-3-2-4(8-1-7-3)10-5(11)9-2;/h1H,(H4,6,7,8,9,10,11);/p-1.
What are the key properties of 6-amino-7H-purin-9-ide-8-thione;yttrium?
6-amino-7H-purin-9-ide-8-thione;yttrium has a molecular weight of 255.10 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7H-purin-9-ide-8-thione;yttrium is sourced from PubChem (CID 58893075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).