(4-chlorocyclohexyl)sulfanium

C6H12ClS+ — CID 58693331

IUPAC(4-chlorocyclohexyl)sulfanium
SMILES[SH2+]C1CCC(Cl)CC1
InChIInChI=1S/C6H11ClS/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4H2/p+1
InChIKeySQRYFXGJXDKGSR-UHFFFAOYSA-O
MW151.68 g/mol
LogP1.55
Rot. Bonds

About (4-chlorocyclohexyl)sulfanium

(4-chlorocyclohexyl)sulfanium (PubChem CID 58693331) has the molecular formula C6H12ClS+ and a molecular weight of 151.68 g/mol. Its IUPAC name is (4-chlorocyclohexyl)sulfanium.

Molecular Properties

Compound Name(4-chlorocyclohexyl)sulfanium
PubChem CID58693331
Molecular FormulaC6H12ClS+
Molecular Weight151.68 g/mol
Exact Mass151.03
IUPAC Name(4-chlorocyclohexyl)sulfanium
SMILES[SH2+]C1CCC(Cl)CC1
InChIInChI=1S/C6H11ClS/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4H2/p+1
InChIKeySQRYFXGJXDKGSR-UHFFFAOYSA-O
XLogP1.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.68
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4-chlorocyclohexyl)sulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chlorocyclohexyl)sulfanium?
The IUPAC name of (4-chlorocyclohexyl)sulfanium (CID 58693331) is (4-chlorocyclohexyl)sulfanium.
What is the SMILES notation for (4-chlorocyclohexyl)sulfanium?
The canonical SMILES for (4-chlorocyclohexyl)sulfanium is [SH2+]C1CCC(Cl)CC1.
What is the InChIKey of (4-chlorocyclohexyl)sulfanium?
The InChIKey is SQRYFXGJXDKGSR-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11ClS/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4H2/p+1.
What are the key properties of (4-chlorocyclohexyl)sulfanium?
(4-chlorocyclohexyl)sulfanium has a molecular weight of 151.68 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorocyclohexyl)sulfanium is sourced from PubChem (CID 58693331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).