8-methylsulfinylnaphthalene-2-carboxylic acid

C12H10O3S — CID 126707128

IUPAC8-methylsulfinylnaphthalene-2-carboxylic acid
SMILESCS(=O)c1cccc2ccc(C(=O)O)cc12
InChIInChI=1S/C12H10O3S/c1-16(15)11-4-2-3-8-5-6-9(12(13)14)7-10(8)11/h2-7H,1H3,(H,13,14)
InChIKeyILCVOYVTJWRYMH-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.28
Rot. Bonds2

About 8-methylsulfinylnaphthalene-2-carboxylic acid

8-methylsulfinylnaphthalene-2-carboxylic acid (PubChem CID 126707128) has the molecular formula C12H10O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is 8-methylsulfinylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-methylsulfinylnaphthalene-2-carboxylic acid
PubChem CID126707128
Molecular FormulaC12H10O3S
Molecular Weight234.28 g/mol
Exact Mass234.04
IUPAC Name8-methylsulfinylnaphthalene-2-carboxylic acid
SMILESCS(=O)c1cccc2ccc(C(=O)O)cc12
InChIInChI=1S/C12H10O3S/c1-16(15)11-4-2-3-8-5-6-9(12(13)14)7-10(8)11/h2-7H,1H3,(H,13,14)
InChIKeyILCVOYVTJWRYMH-UHFFFAOYSA-N
XLogP2.28
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-ethylnaphthalene-2-carboxylic acid
CID 151555828
8-aminonaphthalene-2-carboxylic acid
CID 13440887
3-fluoro-4-methylsulfinylbenzoic acid
CID 58022679
8-(2-hydroxyphenyl)naphthalene-2-carboxylic acid
CID 58553658
ethane;naphthalene-2-carboxylic acid;propane
CID 143443534
naphthalene-2-carboxylic acid
CID 175967775
8-(2,3-dichlorophenyl)naphthalene-2-carboxylic acid
CID 58553759
benzene-1,3-dicarboxylic acid;naphthalene-1,2-dicarboxylic acid;terephthalic acid
CID 157108272
hexacene-2-carboxylic acid
CID 87430666
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid
CID 67896407
8-(3-fluoro-2-hydroxyphenyl)naphthalene-2-carboxylic acid
CID 58553637

Frequently Asked Questions

What is the IUPAC name of 8-methylsulfinylnaphthalene-2-carboxylic acid?
The IUPAC name of 8-methylsulfinylnaphthalene-2-carboxylic acid (CID 126707128) is 8-methylsulfinylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 8-methylsulfinylnaphthalene-2-carboxylic acid?
The canonical SMILES for 8-methylsulfinylnaphthalene-2-carboxylic acid is CS(=O)c1cccc2ccc(C(=O)O)cc12.
What is the InChIKey of 8-methylsulfinylnaphthalene-2-carboxylic acid?
The InChIKey is ILCVOYVTJWRYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S/c1-16(15)11-4-2-3-8-5-6-9(12(13)14)7-10(8)11/h2-7H,1H3,(H,13,14).
What are the key properties of 8-methylsulfinylnaphthalene-2-carboxylic acid?
8-methylsulfinylnaphthalene-2-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfinylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 126707128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).