7-dihydroxyphosphinothioyloxy-2,3-dihydroinden-1-one

C9H9O4PS — CID 20545951

IUPAC7-dihydroxyphosphinothioyloxy-2,3-dihydroinden-1-one
SMILESO=C1CCc2cccc(OP(O)(O)=S)c21
InChIInChI=1S/C9H9O4PS/c10-7-5-4-6-2-1-3-8(9(6)7)13-14(11,12)15/h1-3H,4-5H2,(H2,11,12,15)
InChIKeyBOJFRUNJTBNERS-UHFFFAOYSA-N
MW244.21 g/mol
LogP1.40
Rot. Bonds2

About 7-dihydroxyphosphinothioyloxy-2,3-dihydroinden-1-one

7-dihydroxyphosphinothioyloxy-2,3-dihydroinden-1-one (PubChem CID 20545951) has the molecular formula C9H9O4PS and a molecular weight of 244.21 g/mol. Its IUPAC name is 7-dihydroxyphosphinothioyloxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name7-dihydroxyphosphinothioyloxy-2,3-dihydroinden-1-one
PubChem CID20545951
Molecular FormulaC9H9O4PS
Molecular Weight244.21 g/mol
Exact Mass244.00
IUPAC Name7-dihydroxyphosphinothioyloxy-2,3-dihydroinden-1-one
SMILESO=C1CCc2cccc(OP(O)(O)=S)c21
InChIInChI=1S/C9H9O4PS/c10-7-5-4-6-2-1-3-8(9(6)7)13-14(11,12)15/h1-3H,4-5H2,(H2,11,12,15)
InChIKeyBOJFRUNJTBNERS-UHFFFAOYSA-N
XLogP1.40
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 51.40
H-Bond Donors ≤ 52
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 7-dihydroxyphosphinothioyloxy-2,3-dihydroinden-1-one?
The IUPAC name of 7-dihydroxyphosphinothioyloxy-2,3-dihydroinden-1-one (CID 20545951) is 7-dihydroxyphosphinothioyloxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 7-dihydroxyphosphinothioyloxy-2,3-dihydroinden-1-one?
The canonical SMILES for 7-dihydroxyphosphinothioyloxy-2,3-dihydroinden-1-one is O=C1CCc2cccc(OP(O)(O)=S)c21.
What is the InChIKey of 7-dihydroxyphosphinothioyloxy-2,3-dihydroinden-1-one?
The InChIKey is BOJFRUNJTBNERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O4PS/c10-7-5-4-6-2-1-3-8(9(6)7)13-14(11,12)15/h1-3H,4-5H2,(H2,11,12,15).
What are the key properties of 7-dihydroxyphosphinothioyloxy-2,3-dihydroinden-1-one?
7-dihydroxyphosphinothioyloxy-2,3-dihydroinden-1-one has a molecular weight of 244.21 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dihydroxyphosphinothioyloxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 20545951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).