3-dihydroxyphosphinothioyloxy-6-hydroxy-1H-quinoxalin-2-one

C8H7N2O5PS — CID 102367843

IUPAC3-dihydroxyphosphinothioyloxy-6-hydroxy-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccc(O)cc2nc1OP(O)(O)=S
InChIInChI=1S/C8H7N2O5PS/c11-4-1-2-5-6(3-4)10-8(7(12)9-5)15-16(13,14)17/h1-3,11H,(H,9,12)(H2,13,14,17)
InChIKeyNSANTRGXSOYCKH-UHFFFAOYSA-N
MW274.19 g/mol
LogP0.22
Rot. Bonds2

About 3-dihydroxyphosphinothioyloxy-6-hydroxy-1H-quinoxalin-2-one

3-dihydroxyphosphinothioyloxy-6-hydroxy-1H-quinoxalin-2-one (PubChem CID 102367843) has the molecular formula C8H7N2O5PS and a molecular weight of 274.19 g/mol. Its IUPAC name is 3-dihydroxyphosphinothioyloxy-6-hydroxy-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-dihydroxyphosphinothioyloxy-6-hydroxy-1H-quinoxalin-2-one
PubChem CID102367843
Molecular FormulaC8H7N2O5PS
Molecular Weight274.19 g/mol
Exact Mass273.98
IUPAC Name3-dihydroxyphosphinothioyloxy-6-hydroxy-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccc(O)cc2nc1OP(O)(O)=S
InChIInChI=1S/C8H7N2O5PS/c11-4-1-2-5-6(3-4)10-8(7(12)9-5)15-16(13,14)17/h1-3,11H,(H,9,12)(H2,13,14,17)
InChIKeyNSANTRGXSOYCKH-UHFFFAOYSA-N
XLogP0.22
TPSA115.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-dihydroxyphosphinothioyloxy-6-hydroxy-1H-quinoxalin-2-one?
The IUPAC name of 3-dihydroxyphosphinothioyloxy-6-hydroxy-1H-quinoxalin-2-one (CID 102367843) is 3-dihydroxyphosphinothioyloxy-6-hydroxy-1H-quinoxalin-2-one.
What is the SMILES notation for 3-dihydroxyphosphinothioyloxy-6-hydroxy-1H-quinoxalin-2-one?
The canonical SMILES for 3-dihydroxyphosphinothioyloxy-6-hydroxy-1H-quinoxalin-2-one is O=c1[nH]c2ccc(O)cc2nc1OP(O)(O)=S.
What is the InChIKey of 3-dihydroxyphosphinothioyloxy-6-hydroxy-1H-quinoxalin-2-one?
The InChIKey is NSANTRGXSOYCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2O5PS/c11-4-1-2-5-6(3-4)10-8(7(12)9-5)15-16(13,14)17/h1-3,11H,(H,9,12)(H2,13,14,17).
What are the key properties of 3-dihydroxyphosphinothioyloxy-6-hydroxy-1H-quinoxalin-2-one?
3-dihydroxyphosphinothioyloxy-6-hydroxy-1H-quinoxalin-2-one has a molecular weight of 274.19 g/mol, XLogP of 0.22, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dihydroxyphosphinothioyloxy-6-hydroxy-1H-quinoxalin-2-one is sourced from PubChem (CID 102367843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).