(7-chloro-1-bicyclo[4.1.0]hepta-2,4-dienyl)sulfanium

C7H8ClS+ — CID 163979689

IUPAC(7-chloro-1-bicyclo[4.1.0]hepta-2,4-dienyl)sulfanium
SMILES[SH2+]C12C=CC=CC1C2Cl
InChIInChI=1S/C7H7ClS/c8-6-5-3-1-2-4-7(5,6)9/h1-6,9H/p+1
InChIKeySXHOBNNSTVZAIY-UHFFFAOYSA-O
MW159.66 g/mol
LogP1.10
Rot. Bonds

About (7-chloro-1-bicyclo[4.1.0]hepta-2,4-dienyl)sulfanium

(7-chloro-1-bicyclo[4.1.0]hepta-2,4-dienyl)sulfanium (PubChem CID 163979689) has the molecular formula C7H8ClS+ and a molecular weight of 159.66 g/mol. Its IUPAC name is (7-chloro-1-bicyclo[4.1.0]hepta-2,4-dienyl)sulfanium.

Molecular Properties

Compound Name(7-chloro-1-bicyclo[4.1.0]hepta-2,4-dienyl)sulfanium
PubChem CID163979689
Molecular FormulaC7H8ClS+
Molecular Weight159.66 g/mol
Exact Mass159.00
IUPAC Name(7-chloro-1-bicyclo[4.1.0]hepta-2,4-dienyl)sulfanium
SMILES[SH2+]C12C=CC=CC1C2Cl
InChIInChI=1S/C7H7ClS/c8-6-5-3-1-2-4-7(5,6)9/h1-6,9H/p+1
InChIKeySXHOBNNSTVZAIY-UHFFFAOYSA-O
XLogP1.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.66
LogP ≤ 51.10
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 (7-chloro-1-bicyclo[4.1.0]hepta-2,4-dienyl)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 (7-chloro-1-bicyclo[4.1.0]hepta-2,4-dienyl)sulfanium?
The IUPAC name of (7-chloro-1-bicyclo[4.1.0]hepta-2,4-dienyl)sulfanium (CID 163979689) is (7-chloro-1-bicyclo[4.1.0]hepta-2,4-dienyl)sulfanium.
What is the SMILES notation for (7-chloro-1-bicyclo[4.1.0]hepta-2,4-dienyl)sulfanium?
The canonical SMILES for (7-chloro-1-bicyclo[4.1.0]hepta-2,4-dienyl)sulfanium is [SH2+]C12C=CC=CC1C2Cl.
What is the InChIKey of (7-chloro-1-bicyclo[4.1.0]hepta-2,4-dienyl)sulfanium?
The InChIKey is SXHOBNNSTVZAIY-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H7ClS/c8-6-5-3-1-2-4-7(5,6)9/h1-6,9H/p+1.
What are the key properties of (7-chloro-1-bicyclo[4.1.0]hepta-2,4-dienyl)sulfanium?
(7-chloro-1-bicyclo[4.1.0]hepta-2,4-dienyl)sulfanium has a molecular weight of 159.66 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1-bicyclo[4.1.0]hepta-2,4-dienyl)sulfanium is sourced from PubChem (CID 163979689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).