4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2-thione

C9H5F3N2S2 — CID 3274264

IUPAC4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2-thione
SMILESFC(F)(F)c1cc(-c2cccs2)nc(=S)[nH]1
InChIInChI=1S/C9H5F3N2S2/c10-9(11,12)7-4-5(13-8(15)14-7)6-2-1-3-16-6/h1-4H,(H,13,14,15)
InChIKeyJOJJMOKPOZTFKX-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.89
Rot. Bonds1

About 4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2-thione

4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2-thione (PubChem CID 3274264) has the molecular formula C9H5F3N2S2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2-thione
PubChem CID3274264
Molecular FormulaC9H5F3N2S2
Molecular Weight262.28 g/mol
Exact Mass261.98
IUPAC Name4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2-thione
SMILESFC(F)(F)c1cc(-c2cccs2)nc(=S)[nH]1
InChIInChI=1S/C9H5F3N2S2/c10-9(11,12)7-4-5(13-8(15)14-7)6-2-1-3-16-6/h1-4H,(H,13,14,15)
InChIKeyJOJJMOKPOZTFKX-UHFFFAOYSA-N
XLogP3.89
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chlorothiophen-2-yl)-6-(trifluoromethyl)-1H-pyrimidine-2-thione
CID 107362495
4-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2-thione
CID 91926908
4-(2,3-difluoro-4-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2-thione
CID 107516800
3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole
CID 19332878
3-thiophen-2-yl-6-(trifluoromethyl)-2,7-dihydropyrazolo[3,4-b]pyridin-4-one
CID 135418916
4-thiophen-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 116967666
4-methyl-7-thiophen-2-yl-5-(trifluoromethyl)-1H-1,8-naphthyridin-2-one
CID 8006551
4-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2-thione
CID 106514710
[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea
CID 71670383
1-cyclopentyl-2-sulfanylidene-7-thiophen-2-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
CID 29096113
1-[(2R)-butan-2-yl]-2-sulfanylidene-7-thiophen-2-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
CID 29090549
5-[2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-yl]pyridine-3-carbonitrile
CID 106520036

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2-thione?
The IUPAC name of 4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2-thione (CID 3274264) is 4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2-thione.
What is the SMILES notation for 4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2-thione?
The canonical SMILES for 4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2-thione is FC(F)(F)c1cc(-c2cccs2)nc(=S)[nH]1.
What is the InChIKey of 4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2-thione?
The InChIKey is JOJJMOKPOZTFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2S2/c10-9(11,12)7-4-5(13-8(15)14-7)6-2-1-3-16-6/h1-4H,(H,13,14,15).
What are the key properties of 4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2-thione?
4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2-thione has a molecular weight of 262.28 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2-thione is sourced from PubChem (CID 3274264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).