2-methylprop-1-enylsulfanium iodide

C4H9IS — CID 86749533

IUPAC2-methylprop-1-enylsulfanium iodide
SMILESCC(C)=C[SH2+].[I-]
InChIInChI=1S/C4H8S.HI/c1-4(2)3-5;/h3,5H,1-2H3;1H
InChIKeyDNLHIKZNOZZERD-UHFFFAOYSA-N
MW216.09 g/mol
LogP-2.07
Rot. Bonds

About 2-methylprop-1-enylsulfanium iodide

2-methylprop-1-enylsulfanium iodide (PubChem CID 86749533) has the molecular formula C4H9IS and a molecular weight of 216.09 g/mol. Its IUPAC name is 2-methylprop-1-enylsulfanium iodide.

Molecular Properties

Compound Name2-methylprop-1-enylsulfanium iodide
PubChem CID86749533
Molecular FormulaC4H9IS
Molecular Weight216.09 g/mol
Exact Mass215.95
IUPAC Name2-methylprop-1-enylsulfanium iodide
SMILESCC(C)=C[SH2+].[I-]
InChIInChI=1S/C4H8S.HI/c1-4(2)3-5;/h3,5H,1-2H3;1H
InChIKeyDNLHIKZNOZZERD-UHFFFAOYSA-N
XLogP-2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.09
LogP ≤ 5-2.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-1-enylsulfanium iodide?
The IUPAC name of 2-methylprop-1-enylsulfanium iodide (CID 86749533) is 2-methylprop-1-enylsulfanium iodide.
What is the SMILES notation for 2-methylprop-1-enylsulfanium iodide?
The canonical SMILES for 2-methylprop-1-enylsulfanium iodide is CC(C)=C[SH2+].[I-].
What is the InChIKey of 2-methylprop-1-enylsulfanium iodide?
The InChIKey is DNLHIKZNOZZERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S.HI/c1-4(2)3-5;/h3,5H,1-2H3;1H.
What are the key properties of 2-methylprop-1-enylsulfanium iodide?
2-methylprop-1-enylsulfanium iodide has a molecular weight of 216.09 g/mol, XLogP of -2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-enylsulfanium iodide is sourced from PubChem (CID 86749533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).