6-ethyl-1H-pyrimidine-4-thione

C6H8N2S — CID 61236035

IUPAC6-ethyl-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc[nH]1
InChIInChI=1S/C6H8N2S/c1-2-5-3-6(9)8-4-7-5/h3-4H,2H2,1H3,(H,7,8,9)
InChIKeyMHXSKUDTNVAAMK-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.70
Rot. Bonds1

About 6-ethyl-1H-pyrimidine-4-thione

6-ethyl-1H-pyrimidine-4-thione (PubChem CID 61236035) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 6-ethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-1H-pyrimidine-4-thione
PubChem CID61236035
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name6-ethyl-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc[nH]1
InChIInChI=1S/C6H8N2S/c1-2-5-3-6(9)8-4-7-5/h3-4H,2H2,1H3,(H,7,8,9)
InChIKeyMHXSKUDTNVAAMK-UHFFFAOYSA-N
XLogP1.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-ethyl-1H-pyrimidine-4-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 6-ethyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-1H-pyrimidine-4-thione (CID 61236035) is 6-ethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-1H-pyrimidine-4-thione is CCc1cc(=S)nc[nH]1.
What is the InChIKey of 6-ethyl-1H-pyrimidine-4-thione?
The InChIKey is MHXSKUDTNVAAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-2-5-3-6(9)8-4-7-5/h3-4H,2H2,1H3,(H,7,8,9).
What are the key properties of 6-ethyl-1H-pyrimidine-4-thione?
6-ethyl-1H-pyrimidine-4-thione has a molecular weight of 140.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 61236035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).