pentafluoro(1H-pyrazol-4-yl)-λ6-sulfane

C3H3F5N2S — CID 101431005

IUPACpentafluoro(1H-pyrazol-4-yl)-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1cn[nH]c1
InChIInChI=1S/C3H3F5N2S/c4-11(5,6,7,8)3-1-9-10-2-3/h1-2H,(H,9,10)
InChIKeyWKCKMGHZJDIXFR-UHFFFAOYSA-N
MW194.13 g/mol
LogP3.07
Rot. Bonds1

About pentafluoro(1H-pyrazol-4-yl)-λ6-sulfane

pentafluoro(1H-pyrazol-4-yl)-λ6-sulfane (PubChem CID 101431005) has the molecular formula C3H3F5N2S and a molecular weight of 194.13 g/mol. Its IUPAC name is pentafluoro(1H-pyrazol-4-yl)-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro(1H-pyrazol-4-yl)-λ6-sulfane
PubChem CID101431005
Molecular FormulaC3H3F5N2S
Molecular Weight194.13 g/mol
Exact Mass193.99
IUPAC Namepentafluoro(1H-pyrazol-4-yl)-λ6-sulfane
SMILESFS(F)(F)(F)(F)c1cn[nH]c1
InChIInChI=1S/C3H3F5N2S/c4-11(5,6,7,8)3-1-9-10-2-3/h1-2H,(H,9,10)
InChIKeyWKCKMGHZJDIXFR-UHFFFAOYSA-N
XLogP3.07
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H-pyrazole-4-sulfonyl fluoride
CID 122236175
4-((difluoromethyl)sulfanyl)-1H-pyrazole
CID 165604609
1H-Pyrazole-4-thiol
CID 20064967
4-(trifluoromethylsulfinyl)-1H-pyrazole
CID 22497277
4-{[dichlorofluoromethyl]thio}-1H-pyrazole
CID 23149183
4-(trifluoromethylsulfanyl)-1H-pyrazole
CID 53913613
5-fluoro-4-(trifluoromethylsulfanyl)-1H-pyrazole
CID 67942865
trifluoro(1H-pyrazol-4-yl)boranuide
CID 25212876
5-fluoro-1H-pyrazole-4-sulfonyl fluoride
CID 165899303
4-oxidooxysulfanyl-1H-pyrazole
CID 20739333
4-hydroperoxysulfanyl-1H-pyrazole
CID 20739334
4-(Methylthio)-1H-pyrazole
CID 20784854

Frequently Asked Questions

What is the IUPAC name of pentafluoro(1H-pyrazol-4-yl)-λ6-sulfane?
The IUPAC name of pentafluoro(1H-pyrazol-4-yl)-λ6-sulfane (CID 101431005) is pentafluoro(1H-pyrazol-4-yl)-λ6-sulfane.
What is the SMILES notation for pentafluoro(1H-pyrazol-4-yl)-λ6-sulfane?
The canonical SMILES for pentafluoro(1H-pyrazol-4-yl)-λ6-sulfane is FS(F)(F)(F)(F)c1cn[nH]c1.
What is the InChIKey of pentafluoro(1H-pyrazol-4-yl)-λ6-sulfane?
The InChIKey is WKCKMGHZJDIXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5N2S/c4-11(5,6,7,8)3-1-9-10-2-3/h1-2H,(H,9,10).
What are the key properties of pentafluoro(1H-pyrazol-4-yl)-λ6-sulfane?
pentafluoro(1H-pyrazol-4-yl)-λ6-sulfane has a molecular weight of 194.13 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro(1H-pyrazol-4-yl)-λ6-sulfane is sourced from PubChem (CID 101431005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).