4-methylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione

C8H10N2S2 — CID 83871891

IUPAC4-methylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione
SMILESCSc1nc(=S)[nH]c2c1CCC2
InChIInChI=1S/C8H10N2S2/c1-12-7-5-3-2-4-6(5)9-8(11)10-7/h2-4H2,1H3,(H,9,10,11)
InChIKeyPZKPCYPGXDDNAI-UHFFFAOYSA-N
MW198.32 g/mol
LogP2.35
Rot. Bonds1

About 4-methylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione

4-methylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione (PubChem CID 83871891) has the molecular formula C8H10N2S2 and a molecular weight of 198.32 g/mol. Its IUPAC name is 4-methylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione.

Molecular Properties

Compound Name4-methylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione
PubChem CID83871891
Molecular FormulaC8H10N2S2
Molecular Weight198.32 g/mol
Exact Mass198.03
IUPAC Name4-methylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione
SMILESCSc1nc(=S)[nH]c2c1CCC2
InChIInChI=1S/C8H10N2S2/c1-12-7-5-3-2-4-6(5)9-8(11)10-7/h2-4H2,1H3,(H,9,10,11)
InChIKeyPZKPCYPGXDDNAI-UHFFFAOYSA-N
XLogP2.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione?
The IUPAC name of 4-methylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione (CID 83871891) is 4-methylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione.
What is the SMILES notation for 4-methylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione?
The canonical SMILES for 4-methylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione is CSc1nc(=S)[nH]c2c1CCC2.
What is the InChIKey of 4-methylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione?
The InChIKey is PZKPCYPGXDDNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S2/c1-12-7-5-3-2-4-6(5)9-8(11)10-7/h2-4H2,1H3,(H,9,10,11).
What are the key properties of 4-methylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione?
4-methylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione has a molecular weight of 198.32 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2-thione is sourced from PubChem (CID 83871891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).