tris(2-hydroxyethyl)sulfanium chloride

C6H15ClO3S — CID 3031849

IUPACtris(2-hydroxyethyl)sulfanium chloride
SMILESOCC[S+](CCO)CCO.[Cl-]
InChIInChI=1S/C6H15O3S.ClH/c7-1-4-10(5-2-8)6-3-9;/h7-9H,1-6H2;1H/q+1;/p-1
InChIKeyLBOMXWMEUQWCNL-UHFFFAOYSA-M
MW202.70 g/mol
LogP-4.41
Rot. Bonds6

About tris(2-hydroxyethyl)sulfanium chloride

tris(2-hydroxyethyl)sulfanium chloride (PubChem CID 3031849) has the molecular formula C6H15ClO3S and a molecular weight of 202.70 g/mol. Its IUPAC name is tris(2-hydroxyethyl)sulfanium chloride.

Molecular Properties

Compound Nametris(2-hydroxyethyl)sulfanium chloride
PubChem CID3031849
Molecular FormulaC6H15ClO3S
Molecular Weight202.70 g/mol
Exact Mass202.04
IUPAC Nametris(2-hydroxyethyl)sulfanium chloride
SMILESOCC[S+](CCO)CCO.[Cl-]
InChIInChI=1S/C6H15O3S.ClH/c7-1-4-10(5-2-8)6-3-9;/h7-9H,1-6H2;1H/q+1;/p-1
InChIKeyLBOMXWMEUQWCNL-UHFFFAOYSA-M
XLogP-4.41
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.70
LogP ≤ 5-4.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2-hydroxyethyl)sulfanium chloride?
The IUPAC name of tris(2-hydroxyethyl)sulfanium chloride (CID 3031849) is tris(2-hydroxyethyl)sulfanium chloride.
What is the SMILES notation for tris(2-hydroxyethyl)sulfanium chloride?
The canonical SMILES for tris(2-hydroxyethyl)sulfanium chloride is OCC[S+](CCO)CCO.[Cl-].
What is the InChIKey of tris(2-hydroxyethyl)sulfanium chloride?
The InChIKey is LBOMXWMEUQWCNL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15O3S.ClH/c7-1-4-10(5-2-8)6-3-9;/h7-9H,1-6H2;1H/q+1;/p-1.
What are the key properties of tris(2-hydroxyethyl)sulfanium chloride?
tris(2-hydroxyethyl)sulfanium chloride has a molecular weight of 202.70 g/mol, XLogP of -4.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxyethyl)sulfanium chloride is sourced from PubChem (CID 3031849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).