2-methoxybenzenesulfinic acid;zinc

C7H8O3SZn — CID 175016195

IUPAC2-methoxybenzenesulfinic acid;zinc
SMILESCOc1ccccc1S(=O)O.[Zn]
InChIInChI=1S/C7H8O3S.Zn/c1-10-6-4-2-3-5-7(6)11(8)9;/h2-5H,1H3,(H,8,9);
InChIKeyGDVRECSMJLTPHA-UHFFFAOYSA-N
MW237.59 g/mol
LogP1.27
Rot. Bonds2

About 2-methoxybenzenesulfinic acid;zinc

2-methoxybenzenesulfinic acid;zinc (PubChem CID 175016195) has the molecular formula C7H8O3SZn and a molecular weight of 237.59 g/mol. Its IUPAC name is 2-methoxybenzenesulfinic acid;zinc.

Molecular Properties

Compound Name2-methoxybenzenesulfinic acid;zinc
PubChem CID175016195
Molecular FormulaC7H8O3SZn
Molecular Weight237.59 g/mol
Exact Mass235.95
IUPAC Name2-methoxybenzenesulfinic acid;zinc
SMILESCOc1ccccc1S(=O)O.[Zn]
InChIInChI=1S/C7H8O3S.Zn/c1-10-6-4-2-3-5-7(6)11(8)9;/h2-5H,1H3,(H,8,9);
InChIKeyGDVRECSMJLTPHA-UHFFFAOYSA-N
XLogP1.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.59
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methoxybenzenesulfinic acid;zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxynaphthalene-1-sulfinic acid
CID 21331486
2-(2-bromo-3-methoxyphenyl)benzenesulfinic acid
CID 118689823
potassium 2-methoxybenzenesulfinate
CID 70117508
2,6-dimethoxybenzenesulfinic acid
CID 12746143
benzene-1,2-disulfinic acid
CID 19813698
lithium N-(2-methoxy-6-sulfinophenyl)ethanimidate
CID 101304038
2-methoxy-3-methylbenzenesulfinic acid
CID 147294826
methyl 3-(2-methoxyphenyl)sulfinyl-2,2-dimethylpropanoate
CID 79620325
N-[2-(2-methoxyphenyl)sulfinylethyl]propan-2-amine
CID 64659998
2-methoxy-5-(sulfinoamino)benzenesulfinic acid
CID 152789365
tert-butyl 2-[(S)-(2-methoxyphenyl)sulfinyl]acetate
CID 138538379
5-(2-methoxyphenyl)sulfinylpentanoic acid
CID 61290365

Frequently Asked Questions

What is the IUPAC name of 2-methoxybenzenesulfinic acid;zinc?
The IUPAC name of 2-methoxybenzenesulfinic acid;zinc (CID 175016195) is 2-methoxybenzenesulfinic acid;zinc.
What is the SMILES notation for 2-methoxybenzenesulfinic acid;zinc?
The canonical SMILES for 2-methoxybenzenesulfinic acid;zinc is COc1ccccc1S(=O)O.[Zn].
What is the InChIKey of 2-methoxybenzenesulfinic acid;zinc?
The InChIKey is GDVRECSMJLTPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S.Zn/c1-10-6-4-2-3-5-7(6)11(8)9;/h2-5H,1H3,(H,8,9);.
What are the key properties of 2-methoxybenzenesulfinic acid;zinc?
2-methoxybenzenesulfinic acid;zinc has a molecular weight of 237.59 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybenzenesulfinic acid;zinc is sourced from PubChem (CID 175016195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).