hydroxysulfanylmethyl(dimethyl)-λ3-iodane

C3H9IOS — CID 88927852

IUPAChydroxysulfanylmethyl(dimethyl)-λ3-iodane
SMILESCI(C)CSO
InChIInChI=1S/C3H9IOS/c1-4(2)3-6-5/h5H,3H2,1-2H3
InChIKeyZADIVSKMDKDCKR-UHFFFAOYSA-N
MW220.07 g/mol
LogP1.92
Rot. Bonds2

About hydroxysulfanylmethyl(dimethyl)-λ3-iodane

hydroxysulfanylmethyl(dimethyl)-λ3-iodane (PubChem CID 88927852) has the molecular formula C3H9IOS and a molecular weight of 220.07 g/mol. Its IUPAC name is hydroxysulfanylmethyl(dimethyl)-λ3-iodane.

Molecular Properties

Compound Namehydroxysulfanylmethyl(dimethyl)-λ3-iodane
PubChem CID88927852
Molecular FormulaC3H9IOS
Molecular Weight220.07 g/mol
Exact Mass219.94
IUPAC Namehydroxysulfanylmethyl(dimethyl)-λ3-iodane
SMILESCI(C)CSO
InChIInChI=1S/C3H9IOS/c1-4(2)3-6-5/h5H,3H2,1-2H3
InChIKeyZADIVSKMDKDCKR-UHFFFAOYSA-N
XLogP1.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[Iodo(dimethyl)-lambda4-sulfanyl]oxidanium
CID 138970270
(Trimethyl-lambda4-sulfanyl)oxidanium iodide
CID 57417345
Hydroxy(trimethyl)-lambda4-sulfane;hydroiodide
CID 126959599

Frequently Asked Questions

What is the IUPAC name of hydroxysulfanylmethyl(dimethyl)-λ3-iodane?
The IUPAC name of hydroxysulfanylmethyl(dimethyl)-λ3-iodane (CID 88927852) is hydroxysulfanylmethyl(dimethyl)-λ3-iodane.
What is the SMILES notation for hydroxysulfanylmethyl(dimethyl)-λ3-iodane?
The canonical SMILES for hydroxysulfanylmethyl(dimethyl)-λ3-iodane is CI(C)CSO.
What is the InChIKey of hydroxysulfanylmethyl(dimethyl)-λ3-iodane?
The InChIKey is ZADIVSKMDKDCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9IOS/c1-4(2)3-6-5/h5H,3H2,1-2H3.
What are the key properties of hydroxysulfanylmethyl(dimethyl)-λ3-iodane?
hydroxysulfanylmethyl(dimethyl)-λ3-iodane has a molecular weight of 220.07 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxysulfanylmethyl(dimethyl)-λ3-iodane is sourced from PubChem (CID 88927852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).