6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-2-thione

C9H10F3NS — CID 106517874

IUPAC6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-2-thione
SMILESCC(C)c1cc(C(F)(F)F)cc(=S)[nH]1
InChIInChI=1S/C9H10F3NS/c1-5(2)7-3-6(9(10,11)12)4-8(14)13-7/h3-5H,1-2H3,(H,13,14)
InChIKeyNHMKEIKRHFVEGN-UHFFFAOYSA-N
MW221.25 g/mol
LogP3.89
Rot. Bonds1

About 6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-2-thione

6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-2-thione (PubChem CID 106517874) has the molecular formula C9H10F3NS and a molecular weight of 221.25 g/mol. Its IUPAC name is 6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-2-thione.

Molecular Properties

Compound Name6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-2-thione
PubChem CID106517874
Molecular FormulaC9H10F3NS
Molecular Weight221.25 g/mol
Exact Mass221.05
IUPAC Name6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-2-thione
SMILESCC(C)c1cc(C(F)(F)F)cc(=S)[nH]1
InChIInChI=1S/C9H10F3NS/c1-5(2)7-3-6(9(10,11)12)4-8(14)13-7/h3-5H,1-2H3,(H,13,14)
InChIKeyNHMKEIKRHFVEGN-UHFFFAOYSA-N
XLogP3.89
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-propan-2-yl-4-sulfanyl-1H-pyridine-2-thione
CID 156717468
6-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 130097113
4-(trifluoromethyl)-6-(2,4,5-trifluorophenyl)-1H-pyridine-2-thione
CID 106520196
6-(1H-pyrrol-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106523086
6-(4-ethylphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106516388
6-(4-cyclopropyloxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106522136
4-propan-2-yl-6-(trifluoromethyl)-1H-indole
CID 58507761
6-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106514338
4-(trifluoromethyl)-6-(2,3,4-trifluorophenyl)-1H-pyridine-2-thione
CID 106517660
2-propan-2-yl-4,6-bis(trifluoromethyl)pyridine
CID 59664272
6-(2,3-difluorophenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106518206
6-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106520913

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-2-thione?
The IUPAC name of 6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-2-thione (CID 106517874) is 6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-2-thione.
What is the SMILES notation for 6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-2-thione?
The canonical SMILES for 6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-2-thione is CC(C)c1cc(C(F)(F)F)cc(=S)[nH]1.
What is the InChIKey of 6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-2-thione?
The InChIKey is NHMKEIKRHFVEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NS/c1-5(2)7-3-6(9(10,11)12)4-8(14)13-7/h3-5H,1-2H3,(H,13,14).
What are the key properties of 6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-2-thione?
6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-2-thione has a molecular weight of 221.25 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-2-thione is sourced from PubChem (CID 106517874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).