dibenzothiophen-1-yl(phosphanyloxy)phosphane

C12H10OP2S — CID 141312338

IUPACdibenzothiophen-1-yl(phosphanyloxy)phosphane
SMILESPOPc1cccc2sc3ccccc3c12
InChIInChI=1S/C12H10OP2S/c14-13-15-9-5-3-7-11-12(9)8-4-1-2-6-10(8)16-11/h1-7,15H,14H2
InChIKeyJRZQEHUNXMRGJT-UHFFFAOYSA-N
MW264.23 g/mol
LogP4.08
Rot. Bonds2

About dibenzothiophen-1-yl(phosphanyloxy)phosphane

dibenzothiophen-1-yl(phosphanyloxy)phosphane (PubChem CID 141312338) has the molecular formula C12H10OP2S and a molecular weight of 264.23 g/mol. Its IUPAC name is dibenzothiophen-1-yl(phosphanyloxy)phosphane.

Molecular Properties

Compound Namedibenzothiophen-1-yl(phosphanyloxy)phosphane
PubChem CID141312338
Molecular FormulaC12H10OP2S
Molecular Weight264.23 g/mol
Exact Mass263.99
IUPAC Namedibenzothiophen-1-yl(phosphanyloxy)phosphane
SMILESPOPc1cccc2sc3ccccc3c12
InChIInChI=1S/C12H10OP2S/c14-13-15-9-5-3-7-11-12(9)8-4-1-2-6-10(8)16-11/h1-7,15H,14H2
InChIKeyJRZQEHUNXMRGJT-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyldibenzothiophene
CID 23839
1-(methoxymethyl)dibenzothiophene
CID 174808935
1-phenyldibenzothiophene;hydrobromide
CID 174679709
dibenzothiophene;methane
CID 162233710
dibenzothiophene-1-diazonium
CID 71331695
[1]benzothiolo[2,3-b][1]benzothiole
CID 683562
1-(1-phenylethyl)dibenzothiophene
CID 150655649
N-methyl-N-phenyldibenzothiophen-1-amine
CID 137491193
N,N-dimethyldibenzothiophen-1-amine;ethane
CID 157496126
dibenzothiophen-1-yl trifluoromethanesulfonate
CID 129100601
bis(dibenzothiophene);ethane
CID 143921746
N-phenyldibenzothiophen-1-amine
CID 126538366

Frequently Asked Questions

What is the IUPAC name of dibenzothiophen-1-yl(phosphanyloxy)phosphane?
The IUPAC name of dibenzothiophen-1-yl(phosphanyloxy)phosphane (CID 141312338) is dibenzothiophen-1-yl(phosphanyloxy)phosphane.
What is the SMILES notation for dibenzothiophen-1-yl(phosphanyloxy)phosphane?
The canonical SMILES for dibenzothiophen-1-yl(phosphanyloxy)phosphane is POPc1cccc2sc3ccccc3c12.
What is the InChIKey of dibenzothiophen-1-yl(phosphanyloxy)phosphane?
The InChIKey is JRZQEHUNXMRGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OP2S/c14-13-15-9-5-3-7-11-12(9)8-4-1-2-6-10(8)16-11/h1-7,15H,14H2.
What are the key properties of dibenzothiophen-1-yl(phosphanyloxy)phosphane?
dibenzothiophen-1-yl(phosphanyloxy)phosphane has a molecular weight of 264.23 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzothiophen-1-yl(phosphanyloxy)phosphane is sourced from PubChem (CID 141312338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).