triethylsulfanium;trimethylsulfanium;dichloride

C9H24Cl2S2 — CID 23032990

IUPACtriethylsulfanium;trimethylsulfanium;dichloride
SMILESCC[S+](CC)CC.C[S+](C)C.[Cl-].[Cl-]
InChIInChI=1S/C6H15S.C3H9S.2ClH/c1-4-7(5-2)6-3;1-4(2)3;;/h4-6H2,1-3H3;1-3H3;2*1H/q2*+1;;/p-2
InChIKeyKHLCEAFRSQMBCK-UHFFFAOYSA-L
MW267.33 g/mol
LogP-3.83
Rot. Bonds3

About triethylsulfanium;trimethylsulfanium;dichloride

triethylsulfanium;trimethylsulfanium;dichloride (PubChem CID 23032990) has the molecular formula C9H24Cl2S2 and a molecular weight of 267.33 g/mol. Its IUPAC name is triethylsulfanium;trimethylsulfanium;dichloride.

Molecular Properties

Compound Nametriethylsulfanium;trimethylsulfanium;dichloride
PubChem CID23032990
Molecular FormulaC9H24Cl2S2
Molecular Weight267.33 g/mol
Exact Mass266.07
IUPAC Nametriethylsulfanium;trimethylsulfanium;dichloride
SMILESCC[S+](CC)CC.C[S+](C)C.[Cl-].[Cl-]
InChIInChI=1S/C6H15S.C3H9S.2ClH/c1-4-7(5-2)6-3;1-4(2)3;;/h4-6H2,1-3H3;1-3H3;2*1H/q2*+1;;/p-2
InChIKeyKHLCEAFRSQMBCK-UHFFFAOYSA-L
XLogP-3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-3.83
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 triethylsulfanium;trimethylsulfanium;dichloride?
The IUPAC name of triethylsulfanium;trimethylsulfanium;dichloride (CID 23032990) is triethylsulfanium;trimethylsulfanium;dichloride.
What is the SMILES notation for triethylsulfanium;trimethylsulfanium;dichloride?
The canonical SMILES for triethylsulfanium;trimethylsulfanium;dichloride is CC[S+](CC)CC.C[S+](C)C.[Cl-].[Cl-].
What is the InChIKey of triethylsulfanium;trimethylsulfanium;dichloride?
The InChIKey is KHLCEAFRSQMBCK-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H15S.C3H9S.2ClH/c1-4-7(5-2)6-3;1-4(2)3;;/h4-6H2,1-3H3;1-3H3;2*1H/q2*+1;;/p-2.
What are the key properties of triethylsulfanium;trimethylsulfanium;dichloride?
triethylsulfanium;trimethylsulfanium;dichloride has a molecular weight of 267.33 g/mol, XLogP of -3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsulfanium;trimethylsulfanium;dichloride is sourced from PubChem (CID 23032990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).