1-methyl-5-methylsulfanyl-2,3-dihydropyrrole;hydroiodide

C6H12INS — CID 173443939

IUPAC1-methyl-5-methylsulfanyl-2,3-dihydropyrrole;hydroiodide
SMILESCSC1=CCCN1C.I
InChIInChI=1S/C6H11NS.HI/c1-7-5-3-4-6(7)8-2;/h4H,3,5H2,1-2H3;1H
InChIKeyPXNRNGJKULWWHI-UHFFFAOYSA-N
MW257.14 g/mol
LogP2.14
Rot. Bonds1

About 1-methyl-5-methylsulfanyl-2,3-dihydropyrrole;hydroiodide

1-methyl-5-methylsulfanyl-2,3-dihydropyrrole;hydroiodide (PubChem CID 173443939) has the molecular formula C6H12INS and a molecular weight of 257.14 g/mol. Its IUPAC name is 1-methyl-5-methylsulfanyl-2,3-dihydropyrrole;hydroiodide.

Molecular Properties

Compound Name1-methyl-5-methylsulfanyl-2,3-dihydropyrrole;hydroiodide
PubChem CID173443939
Molecular FormulaC6H12INS
Molecular Weight257.14 g/mol
Exact Mass256.97
IUPAC Name1-methyl-5-methylsulfanyl-2,3-dihydropyrrole;hydroiodide
SMILESCSC1=CCCN1C.I
InChIInChI=1S/C6H11NS.HI/c1-7-5-3-4-6(7)8-2;/h4H,3,5H2,1-2H3;1H
InChIKeyPXNRNGJKULWWHI-UHFFFAOYSA-N
XLogP2.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.14
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methylsulfanyl-2,3-dihydropyrrole;hydroiodide?
The IUPAC name of 1-methyl-5-methylsulfanyl-2,3-dihydropyrrole;hydroiodide (CID 173443939) is 1-methyl-5-methylsulfanyl-2,3-dihydropyrrole;hydroiodide.
What is the SMILES notation for 1-methyl-5-methylsulfanyl-2,3-dihydropyrrole;hydroiodide?
The canonical SMILES for 1-methyl-5-methylsulfanyl-2,3-dihydropyrrole;hydroiodide is CSC1=CCCN1C.I.
What is the InChIKey of 1-methyl-5-methylsulfanyl-2,3-dihydropyrrole;hydroiodide?
The InChIKey is PXNRNGJKULWWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS.HI/c1-7-5-3-4-6(7)8-2;/h4H,3,5H2,1-2H3;1H.
What are the key properties of 1-methyl-5-methylsulfanyl-2,3-dihydropyrrole;hydroiodide?
1-methyl-5-methylsulfanyl-2,3-dihydropyrrole;hydroiodide has a molecular weight of 257.14 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylsulfanyl-2,3-dihydropyrrole;hydroiodide is sourced from PubChem (CID 173443939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).