potassium azulen-1-yl sulfite

C10H7KO3S — CID 174713205

IUPACpotassium azulen-1-yl sulfite
SMILESO=S([O-])Oc1ccc2cccccc1-2.[K+]
InChIInChI=1S/C10H8O3S.K/c11-14(12)13-10-7-6-8-4-2-1-3-5-9(8)10;/h1-7H,(H,11,12);/q;+1/p-1
InChIKeyBWLFOQHYYNNFAL-UHFFFAOYSA-M
MW246.33 g/mol
LogP-1.03
Rot. Bonds2

About potassium azulen-1-yl sulfite

potassium azulen-1-yl sulfite (PubChem CID 174713205) has the molecular formula C10H7KO3S and a molecular weight of 246.33 g/mol. Its IUPAC name is potassium azulen-1-yl sulfite.

Molecular Properties

Compound Namepotassium azulen-1-yl sulfite
PubChem CID174713205
Molecular FormulaC10H7KO3S
Molecular Weight246.33 g/mol
Exact Mass245.98
IUPAC Namepotassium azulen-1-yl sulfite
SMILESO=S([O-])Oc1ccc2cccccc1-2.[K+]
InChIInChI=1S/C10H8O3S.K/c11-14(12)13-10-7-6-8-4-2-1-3-5-9(8)10;/h1-7H,(H,11,12);/q;+1/p-1
InChIKeyBWLFOQHYYNNFAL-UHFFFAOYSA-M
XLogP-1.03
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(8-phenylnaphthalen-1-yl) sulfite
CID 175356510
potassium phenyl sulfite
CID 162337240
phenyl sulfite
CID 14972829
potassium;(9,10-dioxoanthracen-1-yl) sulfite;hydride
CID 174411913
diazulen-1-yl butanedioate
CID 91384946
sodium (2-aminophenyl) sulfite
CID 156780353
(4-phenylphenyl)methyl sulfite
CID 175522755
sodium;azane;hydride;phenyl sulfite
CID 174915825
disodium;[2-[(E)-2-[4-[4-[(E)-2-(2-sulfinatooxyphenyl)ethenyl]phenyl]phenyl]ethenyl]phenyl] sulfite
CID 58517350
2-Biphenylyl Sulfate Potassium Salt
CID 171369906
magnesium;hydride;naphthalen-1-yl sulfite
CID 174653300
potassium 2-phenylphenolate
CID 23686122

Frequently Asked Questions

What is the IUPAC name of potassium azulen-1-yl sulfite?
The IUPAC name of potassium azulen-1-yl sulfite (CID 174713205) is potassium azulen-1-yl sulfite.
What is the SMILES notation for potassium azulen-1-yl sulfite?
The canonical SMILES for potassium azulen-1-yl sulfite is O=S([O-])Oc1ccc2cccccc1-2.[K+].
What is the InChIKey of potassium azulen-1-yl sulfite?
The InChIKey is BWLFOQHYYNNFAL-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O3S.K/c11-14(12)13-10-7-6-8-4-2-1-3-5-9(8)10;/h1-7H,(H,11,12);/q;+1/p-1.
What are the key properties of potassium azulen-1-yl sulfite?
potassium azulen-1-yl sulfite has a molecular weight of 246.33 g/mol, XLogP of -1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium azulen-1-yl sulfite is sourced from PubChem (CID 174713205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).