hydroxy(trimethyl)-λ4-sulfane;hydroiodide

C3H11IOS — CID 126959599

IUPAChydroxy(trimethyl)-λ4-sulfane;hydroiodide
SMILESCS(C)(C)O.I
InChIInChI=1S/C3H10OS.HI/c1-5(2,3)4;/h4H,1-3H3;1H
InChIKeyAWWLNEPNGGPYMR-UHFFFAOYSA-N
MW222.09 g/mol
LogP1.77
Rot. Bonds

About hydroxy(trimethyl)-λ4-sulfane;hydroiodide

hydroxy(trimethyl)-λ4-sulfane;hydroiodide (PubChem CID 126959599) has the molecular formula C3H11IOS and a molecular weight of 222.09 g/mol. Its IUPAC name is hydroxy(trimethyl)-λ4-sulfane;hydroiodide.

Molecular Properties

Compound Namehydroxy(trimethyl)-λ4-sulfane;hydroiodide
PubChem CID126959599
Molecular FormulaC3H11IOS
Molecular Weight222.09 g/mol
Exact Mass221.96
IUPAC Namehydroxy(trimethyl)-λ4-sulfane;hydroiodide
SMILESCS(C)(C)O.I
InChIInChI=1S/C3H10OS.HI/c1-5(2,3)4;/h4H,1-3H3;1H
InChIKeyAWWLNEPNGGPYMR-UHFFFAOYSA-N
XLogP1.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy(trimethyl)-λ4-sulfane;hydroiodide?
The IUPAC name of hydroxy(trimethyl)-λ4-sulfane;hydroiodide (CID 126959599) is hydroxy(trimethyl)-λ4-sulfane;hydroiodide.
What is the SMILES notation for hydroxy(trimethyl)-λ4-sulfane;hydroiodide?
The canonical SMILES for hydroxy(trimethyl)-λ4-sulfane;hydroiodide is CS(C)(C)O.I.
What is the InChIKey of hydroxy(trimethyl)-λ4-sulfane;hydroiodide?
The InChIKey is AWWLNEPNGGPYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10OS.HI/c1-5(2,3)4;/h4H,1-3H3;1H.
What are the key properties of hydroxy(trimethyl)-λ4-sulfane;hydroiodide?
hydroxy(trimethyl)-λ4-sulfane;hydroiodide has a molecular weight of 222.09 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(trimethyl)-λ4-sulfane;hydroiodide is sourced from PubChem (CID 126959599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).