2-ethyl-6-thiophen-2-yl-1H-pyrimidine-4-thione

C10H10N2S2 — CID 106515564

IUPAC2-ethyl-6-thiophen-2-yl-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(-c2cccs2)[nH]1
InChIInChI=1S/C10H10N2S2/c1-2-9-11-7(6-10(13)12-9)8-4-3-5-14-8/h3-6H,2H2,1H3,(H,11,12,13)
InChIKeyVYALSWDQNQZWTM-UHFFFAOYSA-N
MW222.34 g/mol
LogP3.43
Rot. Bonds2

About 2-ethyl-6-thiophen-2-yl-1H-pyrimidine-4-thione

2-ethyl-6-thiophen-2-yl-1H-pyrimidine-4-thione (PubChem CID 106515564) has the molecular formula C10H10N2S2 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-ethyl-6-thiophen-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-ethyl-6-thiophen-2-yl-1H-pyrimidine-4-thione
PubChem CID106515564
Molecular FormulaC10H10N2S2
Molecular Weight222.34 g/mol
Exact Mass222.03
IUPAC Name2-ethyl-6-thiophen-2-yl-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(-c2cccs2)[nH]1
InChIInChI=1S/C10H10N2S2/c1-2-9-11-7(6-10(13)12-9)8-4-3-5-14-8/h3-6H,2H2,1H3,(H,11,12,13)
InChIKeyVYALSWDQNQZWTM-UHFFFAOYSA-N
XLogP3.43
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-6-thiophen-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-ethyl-6-thiophen-2-yl-1H-pyrimidine-4-thione (CID 106515564) is 2-ethyl-6-thiophen-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-ethyl-6-thiophen-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-ethyl-6-thiophen-2-yl-1H-pyrimidine-4-thione is CCc1nc(=S)cc(-c2cccs2)[nH]1.
What is the InChIKey of 2-ethyl-6-thiophen-2-yl-1H-pyrimidine-4-thione?
The InChIKey is VYALSWDQNQZWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S2/c1-2-9-11-7(6-10(13)12-9)8-4-3-5-14-8/h3-6H,2H2,1H3,(H,11,12,13).
What are the key properties of 2-ethyl-6-thiophen-2-yl-1H-pyrimidine-4-thione?
2-ethyl-6-thiophen-2-yl-1H-pyrimidine-4-thione has a molecular weight of 222.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-thiophen-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106515564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).