dihydroxy-phenyl-sulfanylidene-lambda5-phosphane

C6H7O2PS — CID 1378714

IUPACdihydroxy-phenyl-sulfanylidene-lambda5-phosphane
SMILESOP(O)(=S)c1ccccc1
InChIInChI=1S/C6H7O2PS/c7-9(8,10)6-4-2-1-3-5-6/h1-5H,(H2,7,8,10)
InChIKeyNAKDJXIEBCHXIZ-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.61
Rot. Bonds1

About dihydroxy-phenyl-sulfanylidene-lambda5-phosphane

dihydroxy-phenyl-sulfanylidene-lambda5-phosphane (PubChem CID 1378714) has the molecular formula C6H7O2PS and a molecular weight of 174.16 g/mol. Its IUPAC name is dihydroxy-phenyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namedihydroxy-phenyl-sulfanylidene-lambda5-phosphane
PubChem CID1378714
Molecular FormulaC6H7O2PS
Molecular Weight174.16 g/mol
Exact Mass173.99
IUPAC Namedihydroxy-phenyl-sulfanylidene-lambda5-phosphane
SMILESOP(O)(=S)c1ccccc1
InChIInChI=1S/C6H7O2PS/c7-9(8,10)6-4-2-1-3-5-6/h1-5H,(H2,7,8,10)
InChIKeyNAKDJXIEBCHXIZ-UHFFFAOYSA-N
XLogP0.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy-phenyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of dihydroxy-phenyl-sulfanylidene-lambda5-phosphane (CID 1378714) is dihydroxy-phenyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for dihydroxy-phenyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for dihydroxy-phenyl-sulfanylidene-lambda5-phosphane is OP(O)(=S)c1ccccc1.
What is the InChIKey of dihydroxy-phenyl-sulfanylidene-lambda5-phosphane?
The InChIKey is NAKDJXIEBCHXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O2PS/c7-9(8,10)6-4-2-1-3-5-6/h1-5H,(H2,7,8,10).
What are the key properties of dihydroxy-phenyl-sulfanylidene-lambda5-phosphane?
dihydroxy-phenyl-sulfanylidene-lambda5-phosphane has a molecular weight of 174.16 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-phenyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 1378714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).