ethyl-iodo-dimethyl-λ4-sulfane

C4H11IS — CID 12539936

IUPACethyl-iodo-dimethyl-λ4-sulfane
SMILESCCS(C)(C)I
InChIInChI=1S/C4H11IS/c1-4-6(2,3)5/h4H2,1-3H3
InChIKeyVUWLQNLERCCXNN-UHFFFAOYSA-N
MW218.10 g/mol
LogP2.42
Rot. Bonds1

About ethyl-iodo-dimethyl-λ4-sulfane

ethyl-iodo-dimethyl-λ4-sulfane (PubChem CID 12539936) has the molecular formula C4H11IS and a molecular weight of 218.10 g/mol. Its IUPAC name is ethyl-iodo-dimethyl-λ4-sulfane.

Molecular Properties

Compound Nameethyl-iodo-dimethyl-λ4-sulfane
PubChem CID12539936
Molecular FormulaC4H11IS
Molecular Weight218.10 g/mol
Exact Mass217.96
IUPAC Nameethyl-iodo-dimethyl-λ4-sulfane
SMILESCCS(C)(C)I
InChIInChI=1S/C4H11IS/c1-4-6(2,3)5/h4H2,1-3H3
InChIKeyVUWLQNLERCCXNN-UHFFFAOYSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 52.42
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 ethyl-iodo-dimethyl-λ4-sulfane?
The IUPAC name of ethyl-iodo-dimethyl-λ4-sulfane (CID 12539936) is ethyl-iodo-dimethyl-λ4-sulfane.
What is the SMILES notation for ethyl-iodo-dimethyl-λ4-sulfane?
The canonical SMILES for ethyl-iodo-dimethyl-λ4-sulfane is CCS(C)(C)I.
What is the InChIKey of ethyl-iodo-dimethyl-λ4-sulfane?
The InChIKey is VUWLQNLERCCXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11IS/c1-4-6(2,3)5/h4H2,1-3H3.
What are the key properties of ethyl-iodo-dimethyl-λ4-sulfane?
ethyl-iodo-dimethyl-λ4-sulfane has a molecular weight of 218.10 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-iodo-dimethyl-λ4-sulfane is sourced from PubChem (CID 12539936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).