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

C6H7N5S2 — CID 5355427

IUPAC2-amino-6-methylsulfanyl-7,9-dihydropurine-8-thione
SMILESCSc1nc(N)nc2[nH]c(=S)[nH]c12
InChIInChI=1S/C6H7N5S2/c1-13-4-2-3(9-5(7)11-4)10-6(12)8-2/h1H3,(H4,7,8,9,10,11,12)
InChIKeyNAQGQODHCQNKPH-UHFFFAOYSA-N
MW213.29 g/mol
LogP1.32
Rot. Bonds1

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

2-amino-6-methylsulfanyl-7,9-dihydropurine-8-thione (PubChem CID 5355427) has the molecular formula C6H7N5S2 and a molecular weight of 213.29 g/mol. Its IUPAC name is 2-amino-6-methylsulfanyl-7,9-dihydropurine-8-thione.

Molecular Properties

Compound Name2-amino-6-methylsulfanyl-7,9-dihydropurine-8-thione
PubChem CID5355427
Molecular FormulaC6H7N5S2
Molecular Weight213.29 g/mol
Exact Mass213.01
IUPAC Name2-amino-6-methylsulfanyl-7,9-dihydropurine-8-thione
SMILESCSc1nc(N)nc2[nH]c(=S)[nH]c12
InChIInChI=1S/C6H7N5S2/c1-13-4-2-3(9-5(7)11-4)10-6(12)8-2/h1H3,(H4,7,8,9,10,11,12)
InChIKeyNAQGQODHCQNKPH-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-Methylsulfanyl-2-methylsulfonyl-7,9-dihydropurin-8-one
CID 5355087
2,6-Bis(methylsulfanyl)pyrimidine-4,5-diamine
CID 239954
6-(Methylsulfanyl)pyrimidine-2,4,5-triamine
CID 267696
6-Methylsulfanyl-7,9-dihydropurine-8-thione
CID 3792394
6-Methylthio-8-hydroxypurine
CID 10352318
6-Amino-2-methylsulfanyl-7,9-dihydropurine-8-thione
CID 130009677
2,6-Bis(methylthio)-7h-purin-8(9h)-one
CID 135397791
2,6-Bis(ethylthio)pyrimidine-4,5-diamine
CID 135397792
9-Methyl-2,6-bis(methylthio)-7,9-dihydro-8h-purine-8-thione
CID 135397795
2,6-Bis(ethylthio)-7h-purin-8(9h)-one
CID 135397802
9-Ethyl-2,6-bis(ethylthio)-8,9-dihydro-7h-purine-8-thiol
CID 135397807
2,6-Bis(propylthio)-7h-purin-8(9h)-one
CID 135397809

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methylsulfanyl-7,9-dihydropurine-8-thione?
The IUPAC name of 2-amino-6-methylsulfanyl-7,9-dihydropurine-8-thione (CID 5355427) is 2-amino-6-methylsulfanyl-7,9-dihydropurine-8-thione.
What is the SMILES notation for 2-amino-6-methylsulfanyl-7,9-dihydropurine-8-thione?
The canonical SMILES for 2-amino-6-methylsulfanyl-7,9-dihydropurine-8-thione is CSc1nc(N)nc2[nH]c(=S)[nH]c12.
What is the InChIKey of 2-amino-6-methylsulfanyl-7,9-dihydropurine-8-thione?
The InChIKey is NAQGQODHCQNKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5S2/c1-13-4-2-3(9-5(7)11-4)10-6(12)8-2/h1H3,(H4,7,8,9,10,11,12).
What are the key properties of 2-amino-6-methylsulfanyl-7,9-dihydropurine-8-thione?
2-amino-6-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 2-amino-6-methylsulfanyl-7,9-dihydropurine-8-thione is sourced from PubChem (CID 5355427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).