5-methyl-2-phenyl-6-thia-2-phosphabicyclo[3.1.0]hexane

C11H13PS — CID 89438534

IUPAC5-methyl-2-phenyl-6-thia-2-phosphabicyclo[3.1.0]hexane
SMILESCC12CCP(c3ccccc3)C1S2
InChIInChI=1S/C11H13PS/c1-11-7-8-12(10(11)13-11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyVBWHLWBVALJGSO-UHFFFAOYSA-N
MW208.27 g/mol
LogP3.03
Rot. Bonds1

About 5-methyl-2-phenyl-6-thia-2-phosphabicyclo[3.1.0]hexane

5-methyl-2-phenyl-6-thia-2-phosphabicyclo[3.1.0]hexane (PubChem CID 89438534) has the molecular formula C11H13PS and a molecular weight of 208.27 g/mol. Its IUPAC name is 5-methyl-2-phenyl-6-thia-2-phosphabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name5-methyl-2-phenyl-6-thia-2-phosphabicyclo[3.1.0]hexane
PubChem CID89438534
Molecular FormulaC11H13PS
Molecular Weight208.27 g/mol
Exact Mass208.05
IUPAC Name5-methyl-2-phenyl-6-thia-2-phosphabicyclo[3.1.0]hexane
SMILESCC12CCP(c3ccccc3)C1S2
InChIInChI=1S/C11H13PS/c1-11-7-8-12(10(11)13-11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKeyVBWHLWBVALJGSO-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 5-methyl-2-phenyl-6-thia-2-phosphabicyclo[3.1.0]hexane 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 5-methyl-2-phenyl-6-thia-2-phosphabicyclo[3.1.0]hexane?
The IUPAC name of 5-methyl-2-phenyl-6-thia-2-phosphabicyclo[3.1.0]hexane (CID 89438534) is 5-methyl-2-phenyl-6-thia-2-phosphabicyclo[3.1.0]hexane.
What is the SMILES notation for 5-methyl-2-phenyl-6-thia-2-phosphabicyclo[3.1.0]hexane?
The canonical SMILES for 5-methyl-2-phenyl-6-thia-2-phosphabicyclo[3.1.0]hexane is CC12CCP(c3ccccc3)C1S2.
What is the InChIKey of 5-methyl-2-phenyl-6-thia-2-phosphabicyclo[3.1.0]hexane?
The InChIKey is VBWHLWBVALJGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13PS/c1-11-7-8-12(10(11)13-11)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3.
What are the key properties of 5-methyl-2-phenyl-6-thia-2-phosphabicyclo[3.1.0]hexane?
5-methyl-2-phenyl-6-thia-2-phosphabicyclo[3.1.0]hexane has a molecular weight of 208.27 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-6-thia-2-phosphabicyclo[3.1.0]hexane is sourced from PubChem (CID 89438534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).