sodium 2-methoxybenzenesulfinate

C7H7NaO3S — CID 23675415

IUPACsodium 2-methoxybenzenesulfinate
SMILESCOc1ccccc1S(=O)[O-].[Na+]
InChIInChI=1S/C7H8O3S.Na/c1-10-6-4-2-3-5-7(6)11(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1
InChIKeyYCXBFBQPNIPTLD-UHFFFAOYSA-M
MW194.19 g/mol
LogP-2.06
Rot. Bonds2

About sodium 2-methoxybenzenesulfinate

sodium 2-methoxybenzenesulfinate (PubChem CID 23675415) has the molecular formula C7H7NaO3S and a molecular weight of 194.19 g/mol. Its IUPAC name is sodium 2-methoxybenzenesulfinate.

Molecular Properties

Compound Namesodium 2-methoxybenzenesulfinate
PubChem CID23675415
Molecular FormulaC7H7NaO3S
Molecular Weight194.19 g/mol
Exact Mass194.00
IUPAC Namesodium 2-methoxybenzenesulfinate
SMILESCOc1ccccc1S(=O)[O-].[Na+]
InChIInChI=1S/C7H8O3S.Na/c1-10-6-4-2-3-5-7(6)11(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1
InChIKeyYCXBFBQPNIPTLD-UHFFFAOYSA-M
XLogP-2.06
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-2.06
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 sodium 2-methoxybenzenesulfinate?
The IUPAC name of sodium 2-methoxybenzenesulfinate (CID 23675415) is sodium 2-methoxybenzenesulfinate.
What is the SMILES notation for sodium 2-methoxybenzenesulfinate?
The canonical SMILES for sodium 2-methoxybenzenesulfinate is COc1ccccc1S(=O)[O-].[Na+].
What is the InChIKey of sodium 2-methoxybenzenesulfinate?
The InChIKey is YCXBFBQPNIPTLD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O3S.Na/c1-10-6-4-2-3-5-7(6)11(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1.
What are the key properties of sodium 2-methoxybenzenesulfinate?
sodium 2-methoxybenzenesulfinate has a molecular weight of 194.19 g/mol, XLogP of -2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methoxybenzenesulfinate is sourced from PubChem (CID 23675415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).