butyl(dimethyl)sulfanium chloride

C6H15ClS — CID 88794132

IUPACbutyl(dimethyl)sulfanium chloride
SMILESCCCC[S+](C)C.[Cl-]
InChIInChI=1S/C6H15S.ClH/c1-4-5-6-7(2)3;/h4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyKLRVFKXKRZEASO-UHFFFAOYSA-M
MW154.71 g/mol
LogP-1.33
Rot. Bonds3

About butyl(dimethyl)sulfanium chloride

butyl(dimethyl)sulfanium chloride (PubChem CID 88794132) has the molecular formula C6H15ClS and a molecular weight of 154.71 g/mol. Its IUPAC name is butyl(dimethyl)sulfanium chloride.

Molecular Properties

Compound Namebutyl(dimethyl)sulfanium chloride
PubChem CID88794132
Molecular FormulaC6H15ClS
Molecular Weight154.71 g/mol
Exact Mass154.06
IUPAC Namebutyl(dimethyl)sulfanium chloride
SMILESCCCC[S+](C)C.[Cl-]
InChIInChI=1S/C6H15S.ClH/c1-4-5-6-7(2)3;/h4-6H2,1-3H3;1H/q+1;/p-1
InChIKeyKLRVFKXKRZEASO-UHFFFAOYSA-M
XLogP-1.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.71
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 butyl(dimethyl)sulfanium chloride?
The IUPAC name of butyl(dimethyl)sulfanium chloride (CID 88794132) is butyl(dimethyl)sulfanium chloride.
What is the SMILES notation for butyl(dimethyl)sulfanium chloride?
The canonical SMILES for butyl(dimethyl)sulfanium chloride is CCCC[S+](C)C.[Cl-].
What is the InChIKey of butyl(dimethyl)sulfanium chloride?
The InChIKey is KLRVFKXKRZEASO-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15S.ClH/c1-4-5-6-7(2)3;/h4-6H2,1-3H3;1H/q+1;/p-1.
What are the key properties of butyl(dimethyl)sulfanium chloride?
butyl(dimethyl)sulfanium chloride has a molecular weight of 154.71 g/mol, XLogP of -1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(dimethyl)sulfanium chloride is sourced from PubChem (CID 88794132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).