cyclohexyl(methyl)sulfanium

C7H15S+ — CID 140814352

IUPACcyclohexyl(methyl)sulfanium
SMILESC[SH+]C1CCCCC1
InChIInChI=1S/C7H14S/c1-8-7-5-3-2-4-6-7/h7H,2-6H2,1H3/p+1
InChIKeyQQBIOCGHCKNYGP-UHFFFAOYSA-O
MW131.26 g/mol
LogP1.76
Rot. Bonds1

About cyclohexyl(methyl)sulfanium

cyclohexyl(methyl)sulfanium (PubChem CID 140814352) has the molecular formula C7H15S+ and a molecular weight of 131.26 g/mol. Its IUPAC name is cyclohexyl(methyl)sulfanium.

Molecular Properties

Compound Namecyclohexyl(methyl)sulfanium
PubChem CID140814352
Molecular FormulaC7H15S+
Molecular Weight131.26 g/mol
Exact Mass131.09
IUPAC Namecyclohexyl(methyl)sulfanium
SMILESC[SH+]C1CCCCC1
InChIInChI=1S/C7H14S/c1-8-7-5-3-2-4-6-7/h7H,2-6H2,1H3/p+1
InChIKeyQQBIOCGHCKNYGP-UHFFFAOYSA-O
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(methyl)sulfanium?
The IUPAC name of cyclohexyl(methyl)sulfanium (CID 140814352) is cyclohexyl(methyl)sulfanium.
What is the SMILES notation for cyclohexyl(methyl)sulfanium?
The canonical SMILES for cyclohexyl(methyl)sulfanium is C[SH+]C1CCCCC1.
What is the InChIKey of cyclohexyl(methyl)sulfanium?
The InChIKey is QQBIOCGHCKNYGP-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14S/c1-8-7-5-3-2-4-6-7/h7H,2-6H2,1H3/p+1.
What are the key properties of cyclohexyl(methyl)sulfanium?
cyclohexyl(methyl)sulfanium has a molecular weight of 131.26 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(methyl)sulfanium is sourced from PubChem (CID 140814352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).