2-chloro-1,3,2-benzodithiaphosphole

C6H4ClPS2 — CID 12781637

IUPAC2-chloro-1,3,2-benzodithiaphosphole
SMILESClP1Sc2ccccc2S1
InChIInChI=1S/C6H4ClPS2/c7-8-9-5-3-1-2-4-6(5)10-8/h1-4H
InChIKeyQVXOYKCPLXEMNL-UHFFFAOYSA-N
MW206.66 g/mol
LogP4.35
Rot. Bonds

About 2-chloro-1,3,2-benzodithiaphosphole

2-chloro-1,3,2-benzodithiaphosphole (PubChem CID 12781637) has the molecular formula C6H4ClPS2 and a molecular weight of 206.66 g/mol. Its IUPAC name is 2-chloro-1,3,2-benzodithiaphosphole.

Molecular Properties

Compound Name2-chloro-1,3,2-benzodithiaphosphole
PubChem CID12781637
Molecular FormulaC6H4ClPS2
Molecular Weight206.66 g/mol
Exact Mass205.92
IUPAC Name2-chloro-1,3,2-benzodithiaphosphole
SMILESClP1Sc2ccccc2S1
InChIInChI=1S/C6H4ClPS2/c7-8-9-5-3-1-2-4-6(5)10-8/h1-4H
InChIKeyQVXOYKCPLXEMNL-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.66
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3,2-benzodithiaphosphole?
The IUPAC name of 2-chloro-1,3,2-benzodithiaphosphole (CID 12781637) is 2-chloro-1,3,2-benzodithiaphosphole.
What is the SMILES notation for 2-chloro-1,3,2-benzodithiaphosphole?
The canonical SMILES for 2-chloro-1,3,2-benzodithiaphosphole is ClP1Sc2ccccc2S1.
What is the InChIKey of 2-chloro-1,3,2-benzodithiaphosphole?
The InChIKey is QVXOYKCPLXEMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClPS2/c7-8-9-5-3-1-2-4-6(5)10-8/h1-4H.
What are the key properties of 2-chloro-1,3,2-benzodithiaphosphole?
2-chloro-1,3,2-benzodithiaphosphole has a molecular weight of 206.66 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3,2-benzodithiaphosphole is sourced from PubChem (CID 12781637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).