6-amino-2-methylsulfanyl-7,9-dihydropurine-8-thione

C6H7N5S2 — CID 130009677

IUPAC6-amino-2-methylsulfanyl-7,9-dihydropurine-8-thione
SMILESCSc1nc(N)c2[nH]c(=S)[nH]c2n1
InChIInChI=1S/C6H7N5S2/c1-13-6-9-3(7)2-4(11-6)10-5(12)8-2/h1H3,(H4,7,8,9,10,11,12)
InChIKeySEZGXTGNCXSEAA-UHFFFAOYSA-N
MW213.29 g/mol
LogP1.32
Rot. Bonds1

About 6-amino-2-methylsulfanyl-7,9-dihydropurine-8-thione

6-amino-2-methylsulfanyl-7,9-dihydropurine-8-thione (PubChem CID 130009677) has the molecular formula C6H7N5S2 and a molecular weight of 213.29 g/mol. Its IUPAC name is 6-amino-2-methylsulfanyl-7,9-dihydropurine-8-thione.

Molecular Properties

Compound Name6-amino-2-methylsulfanyl-7,9-dihydropurine-8-thione
PubChem CID130009677
Molecular FormulaC6H7N5S2
Molecular Weight213.29 g/mol
Exact Mass213.01
IUPAC Name6-amino-2-methylsulfanyl-7,9-dihydropurine-8-thione
SMILESCSc1nc(N)c2[nH]c(=S)[nH]c2n1
InChIInChI=1S/C6H7N5S2/c1-13-6-9-3(7)2-4(11-6)10-5(12)8-2/h1H3,(H4,7,8,9,10,11,12)
InChIKeySEZGXTGNCXSEAA-UHFFFAOYSA-N
XLogP1.32
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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
2,6-Diamino-9H-purine-8-thiol
CID 5355144
4,5,6-Triamino-2-(methylsulfanyl)pyrimidine
CID 229266
6-Methylsulfanyl-7,9-dihydropurine-8-thione
CID 3792394
2-Methyl-mercaptoadenine
CID 56688051
2-Amino-6-methylsulfanyl-7,9-dihydropurine-8-thione
CID 5355427
9-Methyl-2,6-bis(methylthio)-7,9-dihydro-8h-purine-8-thione
CID 135397795
5-Methylsulfanyl-[1,2,5]thiadiazolo[3,4-d]pyrimidin-7-amine
CID 237425
2-(4,6-Diamino-2-methylsulfanylpyrimidin-5-yl)guanidine
CID 18473225
6-amino-2-methyl-7H-purin-9-ide-8-thione;carbanide;yttrium
CID 57816816
6-amino-7H-purin-9-ide-8-thione;yttrium
CID 58893075
4,5,6-Triamino-2-methylmercaptopyrimidine dihydrochloride
CID 69051761

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methylsulfanyl-7,9-dihydropurine-8-thione?
The IUPAC name of 6-amino-2-methylsulfanyl-7,9-dihydropurine-8-thione (CID 130009677) is 6-amino-2-methylsulfanyl-7,9-dihydropurine-8-thione.
What is the SMILES notation for 6-amino-2-methylsulfanyl-7,9-dihydropurine-8-thione?
The canonical SMILES for 6-amino-2-methylsulfanyl-7,9-dihydropurine-8-thione is CSc1nc(N)c2[nH]c(=S)[nH]c2n1.
What is the InChIKey of 6-amino-2-methylsulfanyl-7,9-dihydropurine-8-thione?
The InChIKey is SEZGXTGNCXSEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S2/c1-13-6-9-3(7)2-4(11-6)10-5(12)8-2/h1H3,(H4,7,8,9,10,11,12).
What are the key properties of 6-amino-2-methylsulfanyl-7,9-dihydropurine-8-thione?
6-amino-2-methylsulfanyl-7,9-dihydropurine-8-thione has a molecular weight of 213.29 g/mol, XLogP of 1.32, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methylsulfanyl-7,9-dihydropurine-8-thione is sourced from PubChem (CID 130009677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).