[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiophen-3-yl]methanethiol

C11H8F3NS3 — CID 20623707

IUPAC[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiophen-3-yl]methanethiol
SMILESFC(F)(F)c1ccc(Sc2cscc2CS)nc1
InChIInChI=1S/C11H8F3NS3/c12-11(13,14)8-1-2-10(15-3-8)18-9-6-17-5-7(9)4-16/h1-3,5-6,16H,4H2
InChIKeyXIUAUFDOTROKQD-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.74
Rot. Bonds3

About [4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiophen-3-yl]methanethiol

[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiophen-3-yl]methanethiol (PubChem CID 20623707) has the molecular formula C11H8F3NS3 and a molecular weight of 307.39 g/mol. Its IUPAC name is [4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiophen-3-yl]methanethiol.

Molecular Properties

Compound Name[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiophen-3-yl]methanethiol
PubChem CID20623707
Molecular FormulaC11H8F3NS3
Molecular Weight307.39 g/mol
Exact Mass306.98
IUPAC Name[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiophen-3-yl]methanethiol
SMILESFC(F)(F)c1ccc(Sc2cscc2CS)nc1
InChIInChI=1S/C11H8F3NS3/c12-11(13,14)8-1-2-10(15-3-8)18-9-6-17-5-7(9)4-16/h1-3,5-6,16H,4H2
InChIKeyXIUAUFDOTROKQD-UHFFFAOYSA-N
XLogP4.74
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiophen-3-yl]methanethiol with MolForge

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Related Compounds

[5-fluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
CID 63673671
2-[3-fluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]ethanamine
CID 63817914
4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1H-pyrazol-5-amine
CID 78969097
(1S)-1-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]propan-1-ol
CID 103960715
[3-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methanamine
CID 82809594
[5-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-pyridinyl]methanamine
CID 80639286
2-chloro-5-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyridine
CID 83268833
5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3-thiazol-2-amine
CID 15729200
2-methyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethyl]propan-1-amine
CID 55092132
5-bromo-4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidine
CID 66319385
N,5-dimethyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrimidin-4-amine
CID 80882858
trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane
CID 640487

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiophen-3-yl]methanethiol?
The IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiophen-3-yl]methanethiol (CID 20623707) is [4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiophen-3-yl]methanethiol.
What is the SMILES notation for [4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiophen-3-yl]methanethiol?
The canonical SMILES for [4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiophen-3-yl]methanethiol is FC(F)(F)c1ccc(Sc2cscc2CS)nc1.
What is the InChIKey of [4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiophen-3-yl]methanethiol?
The InChIKey is XIUAUFDOTROKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NS3/c12-11(13,14)8-1-2-10(15-3-8)18-9-6-17-5-7(9)4-16/h1-3,5-6,16H,4H2.
What are the key properties of [4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiophen-3-yl]methanethiol?
[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiophen-3-yl]methanethiol has a molecular weight of 307.39 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]thiophen-3-yl]methanethiol is sourced from PubChem (CID 20623707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).