furan-2-yl-(3-methylpyridin-1-ium-1-yl)methanethione

C11H10NOS+ — CID 101216801

IUPACfuran-2-yl-(3-methylpyridin-1-ium-1-yl)methanethione
SMILESCc1ccc[n+](C(=S)c2ccco2)c1
InChIInChI=1S/C11H10NOS/c1-9-4-2-6-12(8-9)11(14)10-5-3-7-13-10/h2-8H,1H3/q+1
InChIKeyUQGFLYQFAUXLTJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.10
Rot. Bonds1

About furan-2-yl-(3-methylpyridin-1-ium-1-yl)methanethione

furan-2-yl-(3-methylpyridin-1-ium-1-yl)methanethione (PubChem CID 101216801) has the molecular formula C11H10NOS+ and a molecular weight of 204.27 g/mol. Its IUPAC name is furan-2-yl-(3-methylpyridin-1-ium-1-yl)methanethione.

Molecular Properties

Compound Namefuran-2-yl-(3-methylpyridin-1-ium-1-yl)methanethione
PubChem CID101216801
Molecular FormulaC11H10NOS+
Molecular Weight204.27 g/mol
Exact Mass204.05
IUPAC Namefuran-2-yl-(3-methylpyridin-1-ium-1-yl)methanethione
SMILESCc1ccc[n+](C(=S)c2ccco2)c1
InChIInChI=1S/C11H10NOS/c1-9-4-2-6-12(8-9)11(14)10-5-3-7-13-10/h2-8H,1H3/q+1
InChIKeyUQGFLYQFAUXLTJ-UHFFFAOYSA-N
XLogP2.10
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

O-(4-methylphenyl) furan-2-carbothioate
CID 100928361
(Z)-3-hydroxy-2-(3-methylpyridin-1-ium-1-yl)-N,3-diphenylprop-2-enethioamide
CID 135890664
furan-2-carboxylic acid;methanol
CID 70611195
(Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 92909359
furan-2-yl(pyrrolidin-1-yl)methanethione
CID 25148579
N-(3-methylphenyl)sulfonylfuran-2-carboxamide
CID 47130299
2-[(E)-1-chloroprop-1-enyl]furan
CID 170605164
furan-2-carboxylic acid;methanamine
CID 82372767
[furan-2-yl(hydroxy)methylidene]chromium
CID 11728114
3-(furan-2-yl)-2-(3-methylphenyl)-3-oxopropanenitrile
CID 62829603
(E)-3-(2,3-dimethylanilino)-1-(furan-2-yl)prop-2-en-1-one
CID 126185496
1,3-bis(furan-2-yl)-2-methylpropane-1,3-dione
CID 15262340

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(3-methylpyridin-1-ium-1-yl)methanethione?
The IUPAC name of furan-2-yl-(3-methylpyridin-1-ium-1-yl)methanethione (CID 101216801) is furan-2-yl-(3-methylpyridin-1-ium-1-yl)methanethione.
What is the SMILES notation for furan-2-yl-(3-methylpyridin-1-ium-1-yl)methanethione?
The canonical SMILES for furan-2-yl-(3-methylpyridin-1-ium-1-yl)methanethione is Cc1ccc[n+](C(=S)c2ccco2)c1.
What is the InChIKey of furan-2-yl-(3-methylpyridin-1-ium-1-yl)methanethione?
The InChIKey is UQGFLYQFAUXLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10NOS/c1-9-4-2-6-12(8-9)11(14)10-5-3-7-13-10/h2-8H,1H3/q+1.
What are the key properties of furan-2-yl-(3-methylpyridin-1-ium-1-yl)methanethione?
furan-2-yl-(3-methylpyridin-1-ium-1-yl)methanethione has a molecular weight of 204.27 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(3-methylpyridin-1-ium-1-yl)methanethione is sourced from PubChem (CID 101216801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).