2-[iodo(dimethyl)-λ4-sulfanyl]ethanol

C4H11IOS — CID 91929061

IUPAC2-[iodo(dimethyl)-λ4-sulfanyl]ethanol
SMILESCS(C)(I)CCO
InChIInChI=1S/C4H11IOS/c1-7(2,5)4-3-6/h6H,3-4H2,1-2H3
InChIKeyDKNXBCXXMBCRQY-UHFFFAOYSA-N
MW234.10 g/mol
LogP1.39
Rot. Bonds2

About 2-[iodo(dimethyl)-λ4-sulfanyl]ethanol

2-[iodo(dimethyl)-λ4-sulfanyl]ethanol (PubChem CID 91929061) has the molecular formula C4H11IOS and a molecular weight of 234.10 g/mol. Its IUPAC name is 2-[iodo(dimethyl)-λ4-sulfanyl]ethanol.

Molecular Properties

Compound Name2-[iodo(dimethyl)-λ4-sulfanyl]ethanol
PubChem CID91929061
Molecular FormulaC4H11IOS
Molecular Weight234.10 g/mol
Exact Mass233.96
IUPAC Name2-[iodo(dimethyl)-λ4-sulfanyl]ethanol
SMILESCS(C)(I)CCO
InChIInChI=1S/C4H11IOS/c1-7(2,5)4-3-6/h6H,3-4H2,1-2H3
InChIKeyDKNXBCXXMBCRQY-UHFFFAOYSA-N
XLogP1.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 51.39
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 2-[iodo(dimethyl)-λ4-sulfanyl]ethanol?
The IUPAC name of 2-[iodo(dimethyl)-λ4-sulfanyl]ethanol (CID 91929061) is 2-[iodo(dimethyl)-λ4-sulfanyl]ethanol.
What is the SMILES notation for 2-[iodo(dimethyl)-λ4-sulfanyl]ethanol?
The canonical SMILES for 2-[iodo(dimethyl)-λ4-sulfanyl]ethanol is CS(C)(I)CCO.
What is the InChIKey of 2-[iodo(dimethyl)-λ4-sulfanyl]ethanol?
The InChIKey is DKNXBCXXMBCRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11IOS/c1-7(2,5)4-3-6/h6H,3-4H2,1-2H3.
What are the key properties of 2-[iodo(dimethyl)-λ4-sulfanyl]ethanol?
2-[iodo(dimethyl)-λ4-sulfanyl]ethanol has a molecular weight of 234.10 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[iodo(dimethyl)-λ4-sulfanyl]ethanol is sourced from PubChem (CID 91929061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).