2-naphthalen-1-ylsulfinylacetic acid

C12H10O3S — CID 121009246

IUPAC2-naphthalen-1-ylsulfinylacetic acid
SMILESO=C(O)CS(=O)c1cccc2ccccc12
InChIInChI=1S/C12H10O3S/c13-12(14)8-16(15)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,13,14)
InChIKeyLGNOZUJRTATAAL-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.03
Rot. Bonds3

About 2-naphthalen-1-ylsulfinylacetic acid

2-naphthalen-1-ylsulfinylacetic acid (PubChem CID 121009246) has the molecular formula C12H10O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-naphthalen-1-ylsulfinylacetic acid.

Molecular Properties

Compound Name2-naphthalen-1-ylsulfinylacetic acid
PubChem CID121009246
Molecular FormulaC12H10O3S
Molecular Weight234.28 g/mol
Exact Mass234.04
IUPAC Name2-naphthalen-1-ylsulfinylacetic acid
SMILESO=C(O)CS(=O)c1cccc2ccccc12
InChIInChI=1S/C12H10O3S/c13-12(14)8-16(15)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,13,14)
InChIKeyLGNOZUJRTATAAL-UHFFFAOYSA-N
XLogP2.03
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(benzenesulfinyl)naphthalene
CID 19876177
N-cyclohexyl-1,1,1-trifluoro-3-naphthalen-1-ylsulfinylpropan-2-imine
CID 102377475
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
[2-(naphthalen-1-ylmethylsulfinyl)phenyl]methanol
CID 15312401
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
naphthalen-1-ol;propanoic acid
CID 19792721
(NE,S)-N-[(E)-3-phenylprop-2-enylidene]naphthalene-1-sulfinamide
CID 134875152
N-(3-oxo-1-phenylbutan-2-yl)naphthalene-1-sulfinamide
CID 142230277
4-anthracen-9-ylpent-4-enoic acid
CID 102308391
2-[[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]sulfinyl]acetic acid
CID 22939382
CID 174430147
CID 174430147

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylsulfinylacetic acid?
The IUPAC name of 2-naphthalen-1-ylsulfinylacetic acid (CID 121009246) is 2-naphthalen-1-ylsulfinylacetic acid.
What is the SMILES notation for 2-naphthalen-1-ylsulfinylacetic acid?
The canonical SMILES for 2-naphthalen-1-ylsulfinylacetic acid is O=C(O)CS(=O)c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylsulfinylacetic acid?
The InChIKey is LGNOZUJRTATAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S/c13-12(14)8-16(15)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,13,14).
What are the key properties of 2-naphthalen-1-ylsulfinylacetic acid?
2-naphthalen-1-ylsulfinylacetic acid has a molecular weight of 234.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylsulfinylacetic acid is sourced from PubChem (CID 121009246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).