2-ethenyl-1H-pyrimidine-6-thione

C6H6N2S — CID 149155834

IUPAC2-ethenyl-1H-pyrimidine-6-thione
SMILESC=Cc1nccc(=S)[nH]1
InChIInChI=1S/C6H6N2S/c1-2-5-7-4-3-6(9)8-5/h2-4H,1H2,(H,7,8,9)
InChIKeyROUORVFEXFBGKL-UHFFFAOYSA-N
MW138.19 g/mol
LogP1.78
Rot. Bonds1

About 2-ethenyl-1H-pyrimidine-6-thione

2-ethenyl-1H-pyrimidine-6-thione (PubChem CID 149155834) has the molecular formula C6H6N2S and a molecular weight of 138.19 g/mol. Its IUPAC name is 2-ethenyl-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-ethenyl-1H-pyrimidine-6-thione
PubChem CID149155834
Molecular FormulaC6H6N2S
Molecular Weight138.19 g/mol
Exact Mass138.03
IUPAC Name2-ethenyl-1H-pyrimidine-6-thione
SMILESC=Cc1nccc(=S)[nH]1
InChIInChI=1S/C6H6N2S/c1-2-5-7-4-3-6(9)8-5/h2-4H,1H2,(H,7,8,9)
InChIKeyROUORVFEXFBGKL-UHFFFAOYSA-N
XLogP1.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1H-pyrimidine-6-thione?
The IUPAC name of 2-ethenyl-1H-pyrimidine-6-thione (CID 149155834) is 2-ethenyl-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-ethenyl-1H-pyrimidine-6-thione?
The canonical SMILES for 2-ethenyl-1H-pyrimidine-6-thione is C=Cc1nccc(=S)[nH]1.
What is the InChIKey of 2-ethenyl-1H-pyrimidine-6-thione?
The InChIKey is ROUORVFEXFBGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2S/c1-2-5-7-4-3-6(9)8-5/h2-4H,1H2,(H,7,8,9).
What are the key properties of 2-ethenyl-1H-pyrimidine-6-thione?
2-ethenyl-1H-pyrimidine-6-thione has a molecular weight of 138.19 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1H-pyrimidine-6-thione is sourced from PubChem (CID 149155834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).