2-[3-(4-propan-2-ylphenyl)sulfanylfuran-2-yl]sulfanylpyridine

C18H17NOS2 — CID 142945860

IUPAC2-[3-(4-propan-2-ylphenyl)sulfanylfuran-2-yl]sulfanylpyridine
SMILESCC(C)c1ccc(Sc2ccoc2Sc2ccccn2)cc1
InChIInChI=1S/C18H17NOS2/c1-13(2)14-6-8-15(9-7-14)21-16-10-12-20-18(16)22-17-5-3-4-11-19-17/h3-13H,1-2H3
InChIKeyPZCGVZDEVVVOMD-UHFFFAOYSA-N
MW327.47 g/mol
LogP6.10
Rot. Bonds5

About 2-[3-(4-propan-2-ylphenyl)sulfanylfuran-2-yl]sulfanylpyridine

2-[3-(4-propan-2-ylphenyl)sulfanylfuran-2-yl]sulfanylpyridine (PubChem CID 142945860) has the molecular formula C18H17NOS2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-[3-(4-propan-2-ylphenyl)sulfanylfuran-2-yl]sulfanylpyridine.

Molecular Properties

Compound Name2-[3-(4-propan-2-ylphenyl)sulfanylfuran-2-yl]sulfanylpyridine
PubChem CID142945860
Molecular FormulaC18H17NOS2
Molecular Weight327.47 g/mol
Exact Mass327.08
IUPAC Name2-[3-(4-propan-2-ylphenyl)sulfanylfuran-2-yl]sulfanylpyridine
SMILESCC(C)c1ccc(Sc2ccoc2Sc2ccccn2)cc1
InChIInChI=1S/C18H17NOS2/c1-13(2)14-6-8-15(9-7-14)21-16-10-12-20-18(16)22-17-5-3-4-11-19-17/h3-13H,1-2H3
InChIKeyPZCGVZDEVVVOMD-UHFFFAOYSA-N
XLogP6.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

S-(4-tert-butylphenyl) 6-(2,2,2-trifluoroethoxy)pyridine-3-carbothioate
CID 2746131
3-(4-Fluorophenyl)-3-(furan-2-ylmethylsulfanyl)-1-pyridin-4-ylpropan-1-one
CID 5244886
4-(2-Fluoropyridin-3-yl)-5-[(2-methylfuran-3-yl)thio]thiophene-2-carbaldehyde
CID 86631604
3-(3-Fluoro-4-methylphenyl)-5-(furan-2-ylsulfonyl)-1-oxidopyridin-1-ium
CID 177283400
Phenylfurylthieno[2,3-b]pyridyl-methane
CID 129874477
(3S)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)-1-pyridin-4-ylpropan-1-one
CID 2318137
(3R)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)-1-pyridin-4-ylpropan-1-one
CID 2318138
2-[(2-Furylmethyl)thio]-5-(trifluoromethyl)pyridine
CID 2780633
2-[4-(Furan-2-yl)phenyl]sulfanyl-5-(trifluoromethyl)pyridine
CID 168526481
3-[5-(Furan-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]prop-2-enoic acid
CID 168528228
5-[4-[[5-(Trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]furan-2-carbaldehyde
CID 169333827
2-(Furan-2-yl)thiopyrano[2,3-b]pyridin-4-one
CID 14343362

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-propan-2-ylphenyl)sulfanylfuran-2-yl]sulfanylpyridine?
The IUPAC name of 2-[3-(4-propan-2-ylphenyl)sulfanylfuran-2-yl]sulfanylpyridine (CID 142945860) is 2-[3-(4-propan-2-ylphenyl)sulfanylfuran-2-yl]sulfanylpyridine.
What is the SMILES notation for 2-[3-(4-propan-2-ylphenyl)sulfanylfuran-2-yl]sulfanylpyridine?
The canonical SMILES for 2-[3-(4-propan-2-ylphenyl)sulfanylfuran-2-yl]sulfanylpyridine is CC(C)c1ccc(Sc2ccoc2Sc2ccccn2)cc1.
What is the InChIKey of 2-[3-(4-propan-2-ylphenyl)sulfanylfuran-2-yl]sulfanylpyridine?
The InChIKey is PZCGVZDEVVVOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS2/c1-13(2)14-6-8-15(9-7-14)21-16-10-12-20-18(16)22-17-5-3-4-11-19-17/h3-13H,1-2H3.
What are the key properties of 2-[3-(4-propan-2-ylphenyl)sulfanylfuran-2-yl]sulfanylpyridine?
2-[3-(4-propan-2-ylphenyl)sulfanylfuran-2-yl]sulfanylpyridine has a molecular weight of 327.47 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-propan-2-ylphenyl)sulfanylfuran-2-yl]sulfanylpyridine is sourced from PubChem (CID 142945860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).