6-methoxy-6-sulfanylidenebenzo[c][2,1]benzoxaphosphinine

C13H11O2PS — CID 3042553

IUPAC6-methoxy-6-sulfanylidenebenzo[c][2,1]benzoxaphosphinine
SMILESCOP1(=S)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C13H11O2PS/c1-14-16(17)13-9-5-3-7-11(13)10-6-2-4-8-12(10)15-16/h2-9H,1H3
InChIKeyVTMZSTARPFIMGX-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.33
Rot. Bonds1

About 6-methoxy-6-sulfanylidenebenzo[c][2,1]benzoxaphosphinine

6-methoxy-6-sulfanylidenebenzo[c][2,1]benzoxaphosphinine (PubChem CID 3042553) has the molecular formula C13H11O2PS and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-methoxy-6-sulfanylidenebenzo[c][2,1]benzoxaphosphinine.

Molecular Properties

Compound Name6-methoxy-6-sulfanylidenebenzo[c][2,1]benzoxaphosphinine
PubChem CID3042553
Molecular FormulaC13H11O2PS
Molecular Weight262.27 g/mol
Exact Mass262.02
IUPAC Name6-methoxy-6-sulfanylidenebenzo[c][2,1]benzoxaphosphinine
SMILESCOP1(=S)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C13H11O2PS/c1-14-16(17)13-9-5-3-7-11(13)10-6-2-4-8-12(10)15-16/h2-9H,1H3
InChIKeyVTMZSTARPFIMGX-UHFFFAOYSA-N
XLogP3.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6-sulfanylidenebenzo[c][2,1]benzoxaphosphinine?
The IUPAC name of 6-methoxy-6-sulfanylidenebenzo[c][2,1]benzoxaphosphinine (CID 3042553) is 6-methoxy-6-sulfanylidenebenzo[c][2,1]benzoxaphosphinine.
What is the SMILES notation for 6-methoxy-6-sulfanylidenebenzo[c][2,1]benzoxaphosphinine?
The canonical SMILES for 6-methoxy-6-sulfanylidenebenzo[c][2,1]benzoxaphosphinine is COP1(=S)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 6-methoxy-6-sulfanylidenebenzo[c][2,1]benzoxaphosphinine?
The InChIKey is VTMZSTARPFIMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11O2PS/c1-14-16(17)13-9-5-3-7-11(13)10-6-2-4-8-12(10)15-16/h2-9H,1H3.
What are the key properties of 6-methoxy-6-sulfanylidenebenzo[c][2,1]benzoxaphosphinine?
6-methoxy-6-sulfanylidenebenzo[c][2,1]benzoxaphosphinine has a molecular weight of 262.27 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-sulfanylidenebenzo[c][2,1]benzoxaphosphinine is sourced from PubChem (CID 3042553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).