ethenyl-iodo-dimethyl-lambda4-sulfane

C4H9IS — CID 14942447

IUPACethenyl-iodo-dimethyl-lambda4-sulfane
SMILESC=CS(C)(C)I
InChIInChI=1S/C4H9IS/c1-4-6(2,3)5/h4H,1H2,2-3H3
InChIKeyHXGRMLXBRZPDQR-UHFFFAOYSA-N
MW216.09 g/mol
LogP2.54
Rot. Bonds1

About ethenyl-iodo-dimethyl-lambda4-sulfane

ethenyl-iodo-dimethyl-lambda4-sulfane (PubChem CID 14942447) has the molecular formula C4H9IS and a molecular weight of 216.09 g/mol. Its IUPAC name is ethenyl-iodo-dimethyl-lambda4-sulfane.

Molecular Properties

Compound Nameethenyl-iodo-dimethyl-lambda4-sulfane
PubChem CID14942447
Molecular FormulaC4H9IS
Molecular Weight216.09 g/mol
Exact Mass215.95
IUPAC Nameethenyl-iodo-dimethyl-lambda4-sulfane
SMILESC=CS(C)(C)I
InChIInChI=1S/C4H9IS/c1-4-6(2,3)5/h4H,1H2,2-3H3
InChIKeyHXGRMLXBRZPDQR-UHFFFAOYSA-N
XLogP2.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.09
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl-iodo-dimethyl-lambda4-sulfane?
The IUPAC name of ethenyl-iodo-dimethyl-lambda4-sulfane (CID 14942447) is ethenyl-iodo-dimethyl-lambda4-sulfane.
What is the SMILES notation for ethenyl-iodo-dimethyl-lambda4-sulfane?
The canonical SMILES for ethenyl-iodo-dimethyl-lambda4-sulfane is C=CS(C)(C)I.
What is the InChIKey of ethenyl-iodo-dimethyl-lambda4-sulfane?
The InChIKey is HXGRMLXBRZPDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9IS/c1-4-6(2,3)5/h4H,1H2,2-3H3.
What are the key properties of ethenyl-iodo-dimethyl-lambda4-sulfane?
ethenyl-iodo-dimethyl-lambda4-sulfane has a molecular weight of 216.09 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-iodo-dimethyl-lambda4-sulfane is sourced from PubChem (CID 14942447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).