azulen-1-yl sulfite

C10H7O3S- — CID 57166521

IUPACazulen-1-yl sulfite
SMILESO=S([O-])Oc1ccc2cccccc1-2
InChIInChI=1S/C10H8O3S/c11-14(12)13-10-7-6-8-4-2-1-3-5-9(8)10/h1-7H,(H,11,12)/p-1
InChIKeyMUHPFGJDRPKVGU-UHFFFAOYSA-M
MW207.23 g/mol
LogP1.96
Rot. Bonds2

About azulen-1-yl sulfite

azulen-1-yl sulfite (PubChem CID 57166521) has the molecular formula C10H7O3S- and a molecular weight of 207.23 g/mol. Its IUPAC name is azulen-1-yl sulfite.

Molecular Properties

Compound Nameazulen-1-yl sulfite
PubChem CID57166521
Molecular FormulaC10H7O3S-
Molecular Weight207.23 g/mol
Exact Mass207.01
IUPAC Nameazulen-1-yl sulfite
SMILESO=S([O-])Oc1ccc2cccccc1-2
InChIInChI=1S/C10H8O3S/c11-14(12)13-10-7-6-8-4-2-1-3-5-9(8)10/h1-7H,(H,11,12)/p-1
InChIKeyMUHPFGJDRPKVGU-UHFFFAOYSA-M
XLogP1.96
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azulen-1-yl sulfite?
The IUPAC name of azulen-1-yl sulfite (CID 57166521) is azulen-1-yl sulfite.
What is the SMILES notation for azulen-1-yl sulfite?
The canonical SMILES for azulen-1-yl sulfite is O=S([O-])Oc1ccc2cccccc1-2.
What is the InChIKey of azulen-1-yl sulfite?
The InChIKey is MUHPFGJDRPKVGU-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O3S/c11-14(12)13-10-7-6-8-4-2-1-3-5-9(8)10/h1-7H,(H,11,12)/p-1.
What are the key properties of azulen-1-yl sulfite?
azulen-1-yl sulfite has a molecular weight of 207.23 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azulen-1-yl sulfite is sourced from PubChem (CID 57166521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).