1-sulfanylnaphthalene-2-carboxylic acid

C11H8O2S — CID 22336604

IUPAC1-sulfanylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1S
InChIInChI=1S/C11H8O2S/c12-11(13)9-6-5-7-3-1-2-4-8(7)10(9)14/h1-6,14H,(H,12,13)
InChIKeyOZAAEETZNZUQRX-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.83
Rot. Bonds1

About 1-sulfanylnaphthalene-2-carboxylic acid

1-sulfanylnaphthalene-2-carboxylic acid (PubChem CID 22336604) has the molecular formula C11H8O2S and a molecular weight of 204.25 g/mol. Its IUPAC name is 1-sulfanylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-sulfanylnaphthalene-2-carboxylic acid
PubChem CID22336604
Molecular FormulaC11H8O2S
Molecular Weight204.25 g/mol
Exact Mass204.02
IUPAC Name1-sulfanylnaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2ccccc2c1S
InChIInChI=1S/C11H8O2S/c12-11(13)9-6-5-7-3-1-2-4-8(7)10(9)14/h1-6,14H,(H,12,13)
InChIKeyOZAAEETZNZUQRX-UHFFFAOYSA-N
XLogP2.83
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

naphthalene-1,2-dicarboxylic acid;hydrate
CID 67377556
naphthalene-1,2-dicarboxylic acid;hydrochloride
CID 67387751
naphthalene-1,2-dicarboxylic acid;naphthalene-1,4-dicarboxylic acid
CID 158292853
hydrazine;naphthalene-1,2-dicarboxylic acid
CID 19968700
zinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate
CID 54706141
1-ethylnaphthalene-2-carboxylic acid
CID 22762218
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
1-sulfanylnaphthalene-2-carbonitrile;1-(1-sulfanylnaphthalen-2-yl)ethanone
CID 158311361
naphthalene-1,4-dicarboxylic acid;vanadium
CID 175565757
1-chlorosulfonylnaphthalene-2-carboxylic acid
CID 131505334
bis(1-(2-carboxynaphthalen-1-yl)naphthalene-2-carboxylic acid);bis(1,4-dioxane)
CID 139146760
1-formamidonaphthalene-2-carboxylic acid
CID 174958929

Frequently Asked Questions

What is the IUPAC name of 1-sulfanylnaphthalene-2-carboxylic acid?
The IUPAC name of 1-sulfanylnaphthalene-2-carboxylic acid (CID 22336604) is 1-sulfanylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-sulfanylnaphthalene-2-carboxylic acid?
The canonical SMILES for 1-sulfanylnaphthalene-2-carboxylic acid is O=C(O)c1ccc2ccccc2c1S.
What is the InChIKey of 1-sulfanylnaphthalene-2-carboxylic acid?
The InChIKey is OZAAEETZNZUQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2S/c12-11(13)9-6-5-7-3-1-2-4-8(7)10(9)14/h1-6,14H,(H,12,13).
What are the key properties of 1-sulfanylnaphthalene-2-carboxylic acid?
1-sulfanylnaphthalene-2-carboxylic acid has a molecular weight of 204.25 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 22336604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).