1-methyl-2-methylsulfanylpyridin-1-ium iodide

C7H10INS — CID 3038609

IUPAC1-methyl-2-methylsulfanylpyridin-1-ium iodide
SMILESCSc1cccc[n+]1C.[I-]
InChIInChI=1S/C7H10NS.HI/c1-8-6-4-3-5-7(8)9-2;/h3-6H,1-2H3;1H/q+1;/p-1
InChIKeyJGGMQEXWNGZQCC-UHFFFAOYSA-M
MW267.14 g/mol
LogP-1.76
Rot. Bonds1

About 1-methyl-2-methylsulfanylpyridin-1-ium iodide

1-methyl-2-methylsulfanylpyridin-1-ium iodide (PubChem CID 3038609) has the molecular formula C7H10INS and a molecular weight of 267.14 g/mol. Its IUPAC name is 1-methyl-2-methylsulfanylpyridin-1-ium iodide.

Molecular Properties

Compound Name1-methyl-2-methylsulfanylpyridin-1-ium iodide
PubChem CID3038609
Molecular FormulaC7H10INS
Molecular Weight267.14 g/mol
Exact Mass266.96
IUPAC Name1-methyl-2-methylsulfanylpyridin-1-ium iodide
SMILESCSc1cccc[n+]1C.[I-]
InChIInChI=1S/C7H10NS.HI/c1-8-6-4-3-5-7(8)9-2;/h3-6H,1-2H3;1H/q+1;/p-1
InChIKeyJGGMQEXWNGZQCC-UHFFFAOYSA-M
XLogP-1.76
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.14
LogP ≤ 5-1.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylsulfanylpyridin-1-ium iodide?
The IUPAC name of 1-methyl-2-methylsulfanylpyridin-1-ium iodide (CID 3038609) is 1-methyl-2-methylsulfanylpyridin-1-ium iodide.
What is the SMILES notation for 1-methyl-2-methylsulfanylpyridin-1-ium iodide?
The canonical SMILES for 1-methyl-2-methylsulfanylpyridin-1-ium iodide is CSc1cccc[n+]1C.[I-].
What is the InChIKey of 1-methyl-2-methylsulfanylpyridin-1-ium iodide?
The InChIKey is JGGMQEXWNGZQCC-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10NS.HI/c1-8-6-4-3-5-7(8)9-2;/h3-6H,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-methyl-2-methylsulfanylpyridin-1-ium iodide?
1-methyl-2-methylsulfanylpyridin-1-ium iodide has a molecular weight of 267.14 g/mol, XLogP of -1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylsulfanylpyridin-1-ium iodide is sourced from PubChem (CID 3038609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).