dihydroxy(oxo)phosphanium;7-thiabicyclo[4.1.0]hepta-1,3,5-triene

C6H6O3PS+ — CID 175079585

IUPACdihydroxy(oxo)phosphanium;7-thiabicyclo[4.1.0]hepta-1,3,5-triene
SMILESO=[P+](O)O.c1ccc2c(c1)S2
InChIInChI=1S/C6H4S.HO3P/c1-2-4-6-5(3-1)7-6;1-4(2)3/h1-4H;(H-,1,2,3)/p+1
InChIKeyOQKHLUUCOLDFBR-UHFFFAOYSA-O
MW189.15 g/mol
LogP1.78
Rot. Bonds

About dihydroxy(oxo)phosphanium;7-thiabicyclo[4.1.0]hepta-1,3,5-triene

dihydroxy(oxo)phosphanium;7-thiabicyclo[4.1.0]hepta-1,3,5-triene (PubChem CID 175079585) has the molecular formula C6H6O3PS+ and a molecular weight of 189.15 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;7-thiabicyclo[4.1.0]hepta-1,3,5-triene.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;7-thiabicyclo[4.1.0]hepta-1,3,5-triene
PubChem CID175079585
Molecular FormulaC6H6O3PS+
Molecular Weight189.15 g/mol
Exact Mass188.98
IUPAC Namedihydroxy(oxo)phosphanium;7-thiabicyclo[4.1.0]hepta-1,3,5-triene
SMILESO=[P+](O)O.c1ccc2c(c1)S2
InChIInChI=1S/C6H4S.HO3P/c1-2-4-6-5(3-1)7-6;1-4(2)3/h1-4H;(H-,1,2,3)/p+1
InChIKeyOQKHLUUCOLDFBR-UHFFFAOYSA-O
XLogP1.78
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.15
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;7-thiabicyclo[4.1.0]hepta-1,3,5-triene?
The IUPAC name of dihydroxy(oxo)phosphanium;7-thiabicyclo[4.1.0]hepta-1,3,5-triene (CID 175079585) is dihydroxy(oxo)phosphanium;7-thiabicyclo[4.1.0]hepta-1,3,5-triene.
What is the SMILES notation for dihydroxy(oxo)phosphanium;7-thiabicyclo[4.1.0]hepta-1,3,5-triene?
The canonical SMILES for dihydroxy(oxo)phosphanium;7-thiabicyclo[4.1.0]hepta-1,3,5-triene is O=[P+](O)O.c1ccc2c(c1)S2.
What is the InChIKey of dihydroxy(oxo)phosphanium;7-thiabicyclo[4.1.0]hepta-1,3,5-triene?
The InChIKey is OQKHLUUCOLDFBR-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H4S.HO3P/c1-2-4-6-5(3-1)7-6;1-4(2)3/h1-4H;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;7-thiabicyclo[4.1.0]hepta-1,3,5-triene?
dihydroxy(oxo)phosphanium;7-thiabicyclo[4.1.0]hepta-1,3,5-triene has a molecular weight of 189.15 g/mol, XLogP of 1.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;7-thiabicyclo[4.1.0]hepta-1,3,5-triene is sourced from PubChem (CID 175079585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).