2-methoxysulfinylbenzoic acid

C8H8O4S — CID 19855526

IUPAC2-methoxysulfinylbenzoic acid
SMILESCOS(=O)c1ccccc1C(=O)O
InChIInChI=1S/C8H8O4S/c1-12-13(11)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKeyYIGUZUAMIUWECJ-UHFFFAOYSA-N
MW200.22 g/mol
LogP1.05
Rot. Bonds3

About 2-methoxysulfinylbenzoic acid

2-methoxysulfinylbenzoic acid (PubChem CID 19855526) has the molecular formula C8H8O4S and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-methoxysulfinylbenzoic acid.

Molecular Properties

Compound Name2-methoxysulfinylbenzoic acid
PubChem CID19855526
Molecular FormulaC8H8O4S
Molecular Weight200.22 g/mol
Exact Mass200.01
IUPAC Name2-methoxysulfinylbenzoic acid
SMILESCOS(=O)c1ccccc1C(=O)O
InChIInChI=1S/C8H8O4S/c1-12-13(11)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKeyYIGUZUAMIUWECJ-UHFFFAOYSA-N
XLogP1.05
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-carboxyphenyl)sulfinylbenzoic acid;manganese
CID 67782178
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CID 102253869
2-(ethoxymethylsulfinyl)benzoic acid
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formaldehyde;phthalic acid
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2-[(S)-butylsulfinyl]benzoic acid
CID 11009661
methyl (R)-benzenesulfinate
CID 11735002
2-[2-(methylamino)-2-oxoethyl]sulfinylbenzoic acid
CID 60983630
2-[(3-methoxyphenyl)methylsulfinyl]benzoic acid
CID 60982128
2-[(2-methoxyphenyl)sulfinylmethyl]benzoic acid
CID 61290747
CID 66717184
CID 66717184
hydron;phthalic acid
CID 67386665

Frequently Asked Questions

What is the IUPAC name of 2-methoxysulfinylbenzoic acid?
The IUPAC name of 2-methoxysulfinylbenzoic acid (CID 19855526) is 2-methoxysulfinylbenzoic acid.
What is the SMILES notation for 2-methoxysulfinylbenzoic acid?
The canonical SMILES for 2-methoxysulfinylbenzoic acid is COS(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-methoxysulfinylbenzoic acid?
The InChIKey is YIGUZUAMIUWECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4S/c1-12-13(11)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10).
What are the key properties of 2-methoxysulfinylbenzoic acid?
2-methoxysulfinylbenzoic acid has a molecular weight of 200.22 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxysulfinylbenzoic acid is sourced from PubChem (CID 19855526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).