(2-ethenylnaphthalen-1-yl) sulfite

C12H9O3S- — CID 57249256

IUPAC(2-ethenylnaphthalen-1-yl) sulfite
SMILESC=Cc1ccc2ccccc2c1OS(=O)[O-]
InChIInChI=1S/C12H10O3S/c1-2-9-7-8-10-5-3-4-6-11(10)12(9)15-16(13)14/h2-8H,1H2,(H,13,14)/p-1
InChIKeyVBEWUZXVGBRRSI-UHFFFAOYSA-M
MW233.27 g/mol
LogP2.66
Rot. Bonds3

About (2-ethenylnaphthalen-1-yl) sulfite

(2-ethenylnaphthalen-1-yl) sulfite (PubChem CID 57249256) has the molecular formula C12H9O3S- and a molecular weight of 233.27 g/mol. Its IUPAC name is (2-ethenylnaphthalen-1-yl) sulfite.

Molecular Properties

Compound Name(2-ethenylnaphthalen-1-yl) sulfite
PubChem CID57249256
Molecular FormulaC12H9O3S-
Molecular Weight233.27 g/mol
Exact Mass233.03
IUPAC Name(2-ethenylnaphthalen-1-yl) sulfite
SMILESC=Cc1ccc2ccccc2c1OS(=O)[O-]
InChIInChI=1S/C12H10O3S/c1-2-9-7-8-10-5-3-4-6-11(10)12(9)15-16(13)14/h2-8H,1H2,(H,13,14)/p-1
InChIKeyVBEWUZXVGBRRSI-UHFFFAOYSA-M
XLogP2.66
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.66
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 (2-ethenylnaphthalen-1-yl) sulfite?
The IUPAC name of (2-ethenylnaphthalen-1-yl) sulfite (CID 57249256) is (2-ethenylnaphthalen-1-yl) sulfite.
What is the SMILES notation for (2-ethenylnaphthalen-1-yl) sulfite?
The canonical SMILES for (2-ethenylnaphthalen-1-yl) sulfite is C=Cc1ccc2ccccc2c1OS(=O)[O-].
What is the InChIKey of (2-ethenylnaphthalen-1-yl) sulfite?
The InChIKey is VBEWUZXVGBRRSI-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O3S/c1-2-9-7-8-10-5-3-4-6-11(10)12(9)15-16(13)14/h2-8H,1H2,(H,13,14)/p-1.
What are the key properties of (2-ethenylnaphthalen-1-yl) sulfite?
(2-ethenylnaphthalen-1-yl) sulfite has a molecular weight of 233.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenylnaphthalen-1-yl) sulfite is sourced from PubChem (CID 57249256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).