2-phenyl-1,3,2-benzodithiaphosphole

C12H9PS2 — CID 15187117

IUPAC2-phenyl-1,3,2-benzodithiaphosphole
SMILESc1ccc(P2Sc3ccccc3S2)cc1
InChIInChI=1S/C12H9PS2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H
InChIKeyJMJPISRMWXIWOB-UHFFFAOYSA-N
MW248.31 g/mol
LogP4.52
Rot. Bonds1

About 2-phenyl-1,3,2-benzodithiaphosphole

2-phenyl-1,3,2-benzodithiaphosphole (PubChem CID 15187117) has the molecular formula C12H9PS2 and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-phenyl-1,3,2-benzodithiaphosphole.

Molecular Properties

Compound Name2-phenyl-1,3,2-benzodithiaphosphole
PubChem CID15187117
Molecular FormulaC12H9PS2
Molecular Weight248.31 g/mol
Exact Mass247.99
IUPAC Name2-phenyl-1,3,2-benzodithiaphosphole
SMILESc1ccc(P2Sc3ccccc3S2)cc1
InChIInChI=1S/C12H9PS2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H
InChIKeyJMJPISRMWXIWOB-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-phenyl-1,3,2-benzodithiaphosphole 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 2-phenyl-1,3,2-benzodithiaphosphole?
The IUPAC name of 2-phenyl-1,3,2-benzodithiaphosphole (CID 15187117) is 2-phenyl-1,3,2-benzodithiaphosphole.
What is the SMILES notation for 2-phenyl-1,3,2-benzodithiaphosphole?
The canonical SMILES for 2-phenyl-1,3,2-benzodithiaphosphole is c1ccc(P2Sc3ccccc3S2)cc1.
What is the InChIKey of 2-phenyl-1,3,2-benzodithiaphosphole?
The InChIKey is JMJPISRMWXIWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9PS2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H.
What are the key properties of 2-phenyl-1,3,2-benzodithiaphosphole?
2-phenyl-1,3,2-benzodithiaphosphole has a molecular weight of 248.31 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3,2-benzodithiaphosphole is sourced from PubChem (CID 15187117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).