6-thiophen-2-yl-1H-pyrimidine-2-thione

C8H6N2S2 — CID 2737283

IUPAC6-thiophen-2-yl-1H-pyrimidine-2-thione
SMILESS=c1nccc(-c2cccs2)[nH]1
InChIInChI=1S/C8H6N2S2/c11-8-9-4-3-6(10-8)7-2-1-5-12-7/h1-5H,(H,9,10,11)
InChIKeyIPUPBWKUWAKTQL-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.87
Rot. Bonds1

About 6-thiophen-2-yl-1H-pyrimidine-2-thione

6-thiophen-2-yl-1H-pyrimidine-2-thione (PubChem CID 2737283) has the molecular formula C8H6N2S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is 6-thiophen-2-yl-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-thiophen-2-yl-1H-pyrimidine-2-thione
PubChem CID2737283
Molecular FormulaC8H6N2S2
Molecular Weight194.28 g/mol
Exact Mass194.00
IUPAC Name6-thiophen-2-yl-1H-pyrimidine-2-thione
SMILESS=c1nccc(-c2cccs2)[nH]1
InChIInChI=1S/C8H6N2S2/c11-8-9-4-3-6(10-8)7-2-1-5-12-7/h1-5H,(H,9,10,11)
InChIKeyIPUPBWKUWAKTQL-UHFFFAOYSA-N
XLogP2.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-thiophen-2-yl-1H-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 6-thiophen-2-yl-1H-pyrimidine-2-thione?
The IUPAC name of 6-thiophen-2-yl-1H-pyrimidine-2-thione (CID 2737283) is 6-thiophen-2-yl-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-thiophen-2-yl-1H-pyrimidine-2-thione?
The canonical SMILES for 6-thiophen-2-yl-1H-pyrimidine-2-thione is S=c1nccc(-c2cccs2)[nH]1.
What is the InChIKey of 6-thiophen-2-yl-1H-pyrimidine-2-thione?
The InChIKey is IPUPBWKUWAKTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S2/c11-8-9-4-3-6(10-8)7-2-1-5-12-7/h1-5H,(H,9,10,11).
What are the key properties of 6-thiophen-2-yl-1H-pyrimidine-2-thione?
6-thiophen-2-yl-1H-pyrimidine-2-thione has a molecular weight of 194.28 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-yl-1H-pyrimidine-2-thione is sourced from PubChem (CID 2737283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).