2-phenyl-1,3,2λ5-benzodithiaphosphole 2-oxide

C12H9OPS2 — CID 58399828

IUPAC2-phenyl-1,3,2λ5-benzodithiaphosphole 2-oxide
SMILESO=P1(c2ccccc2)Sc2ccccc2S1
InChIInChI=1S/C12H9OPS2/c13-14(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16-14/h1-9H
InChIKeyUIADWKZTUJPUIN-UHFFFAOYSA-N
MW264.31 g/mol
LogP4.40
Rot. Bonds1

About 2-phenyl-1,3,2λ5-benzodithiaphosphole 2-oxide

2-phenyl-1,3,2λ5-benzodithiaphosphole 2-oxide (PubChem CID 58399828) has the molecular formula C12H9OPS2 and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-phenyl-1,3,2λ5-benzodithiaphosphole 2-oxide.

Molecular Properties

Compound Name2-phenyl-1,3,2λ5-benzodithiaphosphole 2-oxide
PubChem CID58399828
Molecular FormulaC12H9OPS2
Molecular Weight264.31 g/mol
Exact Mass263.98
IUPAC Name2-phenyl-1,3,2λ5-benzodithiaphosphole 2-oxide
SMILESO=P1(c2ccccc2)Sc2ccccc2S1
InChIInChI=1S/C12H9OPS2/c13-14(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16-14/h1-9H
InChIKeyUIADWKZTUJPUIN-UHFFFAOYSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzotrithiole 2-oxide
CID 142065
2,2'-Bi-1,3,2-benzodithiaphosphole
CID 331129
2-Chloro-2H-1,3,2-benzodithiaphosphole
CID 12781637
Methyl-bis(phenylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 15055137
2-Phenyl-1,3,2-benzodithiaphosphole
CID 15187117
Iron bis(benzenedithiolate)
CID 20804881
s,s-Diphenyl ethylphosphonodithioate
CID 280806
2,2-Dimethyl-1,3,2-benzodithiastannole
CID 15187126
2,2'-Spirobi[1,3,2-benzodithiastannole]
CID 16687541
2,2'-Spirobi[1,3,2lambda4-benzodithiatellurole]
CID 134996847
Benzene-dithiolate diiron
CID 154926225
2-Iodo-1,3,2-benzodithiaphosphole
CID 168342610

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3,2λ5-benzodithiaphosphole 2-oxide?
The IUPAC name of 2-phenyl-1,3,2λ5-benzodithiaphosphole 2-oxide (CID 58399828) is 2-phenyl-1,3,2λ5-benzodithiaphosphole 2-oxide.
What is the SMILES notation for 2-phenyl-1,3,2λ5-benzodithiaphosphole 2-oxide?
The canonical SMILES for 2-phenyl-1,3,2λ5-benzodithiaphosphole 2-oxide is O=P1(c2ccccc2)Sc2ccccc2S1.
What is the InChIKey of 2-phenyl-1,3,2λ5-benzodithiaphosphole 2-oxide?
The InChIKey is UIADWKZTUJPUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9OPS2/c13-14(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16-14/h1-9H.
What are the key properties of 2-phenyl-1,3,2λ5-benzodithiaphosphole 2-oxide?
2-phenyl-1,3,2λ5-benzodithiaphosphole 2-oxide has a molecular weight of 264.31 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3,2λ5-benzodithiaphosphole 2-oxide is sourced from PubChem (CID 58399828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).