4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride

C13H16F2N2S2 — CID 159237641

IUPAC4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride
SMILESF.F.c1cc(SCCCSc2ccncc2)ccn1
InChIInChI=1S/C13H14N2S2.2FH/c1(10-16-12-2-6-14-7-3-12)11-17-13-4-8-15-9-5-13;;/h2-9H,1,10-11H2;2*1H
InChIKeyKTRNCFHLJVYFDE-UHFFFAOYSA-N
MW302.41 g/mol
LogP4.06
Rot. Bonds6

About 4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride

4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride (PubChem CID 159237641) has the molecular formula C13H16F2N2S2 and a molecular weight of 302.41 g/mol. Its IUPAC name is 4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride.

Molecular Properties

Compound Name4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride
PubChem CID159237641
Molecular FormulaC13H16F2N2S2
Molecular Weight302.41 g/mol
Exact Mass302.07
IUPAC Name4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride
SMILESF.F.c1cc(SCCCSc2ccncc2)ccn1
InChIInChI=1S/C13H14N2S2.2FH/c1(10-16-12-2-6-14-7-3-12)11-17-13-4-8-15-9-5-13;;/h2-9H,1,10-11H2;2*1H
InChIKeyKTRNCFHLJVYFDE-UHFFFAOYSA-N
XLogP4.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-pyridin-4-ylsulfanylpropan-1-ol
CID 19079134
4-octadecylsulfanylpyridine
CID 177449547
4-pent-4-ynylsulfanylpyridine
CID 115871094
9-pyridin-4-ylsulfanylnonanoic acid
CID 139664242
4-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanyl]pyridine
CID 3061975
6-pyridin-4-ylsulfanylhexan-3-one
CID 104623642
N-(4-pyridin-4-ylsulfanylbutyl)octan-1-amine
CID 19079129
4-(2-methylpropylsulfanyl)pyridine
CID 23548728
N-(3-pyridin-4-ylsulfanylpropyl)pyridine-4-carboxamide
CID 67740105
4-(3,4,4-trifluorobut-3-enylsulfanyl)pyridine
CID 154269112
2,2-dimethyl-N-(3-pyridin-4-ylsulfanylpropyl)propanamide
CID 15295262
N-(4-pyridin-4-ylsulfanylbutyl)propanamide;dihydrochloride
CID 19079083

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride?
The IUPAC name of 4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride (CID 159237641) is 4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride.
What is the SMILES notation for 4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride?
The canonical SMILES for 4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride is F.F.c1cc(SCCCSc2ccncc2)ccn1.
What is the InChIKey of 4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride?
The InChIKey is KTRNCFHLJVYFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S2.2FH/c1(10-16-12-2-6-14-7-3-12)11-17-13-4-8-15-9-5-13;;/h2-9H,1,10-11H2;2*1H.
What are the key properties of 4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride?
4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride has a molecular weight of 302.41 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-4-ylsulfanylpropylsulfanyl)pyridine;dihydrofluoride is sourced from PubChem (CID 159237641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).