2,6-dimethoxybenzenesulfinic acid

C8H10O4S — CID 12746143

IUPAC2,6-dimethoxybenzenesulfinic acid
SMILESCOc1cccc(OC)c1S(=O)O
InChIInChI=1S/C8H10O4S/c1-11-6-4-3-5-7(12-2)8(6)13(9)10/h3-5H,1-2H3,(H,9,10)
InChIKeyOZNINKZOGMORSB-UHFFFAOYSA-N
MW202.23 g/mol
LogP1.28
Rot. Bonds3

About 2,6-dimethoxybenzenesulfinic acid

2,6-dimethoxybenzenesulfinic acid (PubChem CID 12746143) has the molecular formula C8H10O4S and a molecular weight of 202.23 g/mol. Its IUPAC name is 2,6-dimethoxybenzenesulfinic acid.

Molecular Properties

Compound Name2,6-dimethoxybenzenesulfinic acid
PubChem CID12746143
Molecular FormulaC8H10O4S
Molecular Weight202.23 g/mol
Exact Mass202.03
IUPAC Name2,6-dimethoxybenzenesulfinic acid
SMILESCOc1cccc(OC)c1S(=O)O
InChIInChI=1S/C8H10O4S/c1-11-6-4-3-5-7(12-2)8(6)13(9)10/h3-5H,1-2H3,(H,9,10)
InChIKeyOZNINKZOGMORSB-UHFFFAOYSA-N
XLogP1.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxynaphthalene-1-sulfinic acid
CID 1484864
2-ethylsulfinyl-1,3-dimethoxybenzene
CID 54447195
2-methoxybenzenesulfinic acid;zinc
CID 175016195
5-methoxynaphthalene-1-sulfinic acid
CID 21331486
2-(2-bromo-3-methoxyphenyl)benzenesulfinic acid
CID 118689823
lithium N-(2-methoxy-6-sulfinophenyl)ethanimidate
CID 101304038
4-fluoro-2-methoxybenzenesulfinic acid
CID 129211704
2-methoxy-3-methylbenzenesulfinic acid
CID 147294826
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926
acetyl 2,6-dimethoxybenzoate
CID 57154954
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxybenzenesulfinic acid?
The IUPAC name of 2,6-dimethoxybenzenesulfinic acid (CID 12746143) is 2,6-dimethoxybenzenesulfinic acid.
What is the SMILES notation for 2,6-dimethoxybenzenesulfinic acid?
The canonical SMILES for 2,6-dimethoxybenzenesulfinic acid is COc1cccc(OC)c1S(=O)O.
What is the InChIKey of 2,6-dimethoxybenzenesulfinic acid?
The InChIKey is OZNINKZOGMORSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4S/c1-11-6-4-3-5-7(12-2)8(6)13(9)10/h3-5H,1-2H3,(H,9,10).
What are the key properties of 2,6-dimethoxybenzenesulfinic acid?
2,6-dimethoxybenzenesulfinic acid has a molecular weight of 202.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxybenzenesulfinic acid is sourced from PubChem (CID 12746143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).