5-methylsulfanylnaphthalene-2-sulfonic acid

C11H10O3S2 — CID 6611028

IUPAC5-methylsulfanylnaphthalene-2-sulfonic acid
SMILESCSc1cccc2cc(S(=O)(=O)O)ccc12
InChIInChI=1S/C11H10O3S2/c1-15-11-4-2-3-8-7-9(16(12,13)14)5-6-10(8)11/h2-7H,1H3,(H,12,13,14)
InChIKeyGVYJCXUACGGJSL-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.81
Rot. Bonds2

About 5-methylsulfanylnaphthalene-2-sulfonic acid

5-methylsulfanylnaphthalene-2-sulfonic acid (PubChem CID 6611028) has the molecular formula C11H10O3S2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-methylsulfanylnaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name5-methylsulfanylnaphthalene-2-sulfonic acid
PubChem CID6611028
Molecular FormulaC11H10O3S2
Molecular Weight254.33 g/mol
Exact Mass254.01
IUPAC Name5-methylsulfanylnaphthalene-2-sulfonic acid
SMILESCSc1cccc2cc(S(=O)(=O)O)ccc12
InChIInChI=1S/C11H10O3S2/c1-15-11-4-2-3-8-7-9(16(12,13)14)5-6-10(8)11/h2-7H,1H3,(H,12,13,14)
InChIKeyGVYJCXUACGGJSL-UHFFFAOYSA-N
XLogP2.81
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE
CID 126960168
5-methylsulfanylnaphthalen-2-ol
CID 130033798
5-(6-sulfonaphthalen-1-yl)oxynaphthalene-2-sulfonic acid
CID 174648265
magnesium;5-aminonaphthalene-2-sulfonic acid;hydride
CID 175063134
8-[(6-sulfonaphthalen-1-yl)methyl]naphthalene-2-sulfonic acid
CID 22833442
5-(methylcarbamoyl)naphthalene-2-sulfonic acid
CID 163232980
ethane;5-(2-methylpropanoylamino)naphthalene-2-sulfonic acid
CID 163232972
10-methoxyanthracene-2-sulfonic acid
CID 18779959
4-bromo-3-methylsulfanylbenzenesulfonic acid
CID 174868028
naphthalene-2-sulfonic acid
CID 8420
1-[methyl(sulfinato)amino]-6-sulfonaphthalene
CID 54388084
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanylnaphthalene-2-sulfonic acid?
The IUPAC name of 5-methylsulfanylnaphthalene-2-sulfonic acid (CID 6611028) is 5-methylsulfanylnaphthalene-2-sulfonic acid.
What is the SMILES notation for 5-methylsulfanylnaphthalene-2-sulfonic acid?
The canonical SMILES for 5-methylsulfanylnaphthalene-2-sulfonic acid is CSc1cccc2cc(S(=O)(=O)O)ccc12.
What is the InChIKey of 5-methylsulfanylnaphthalene-2-sulfonic acid?
The InChIKey is GVYJCXUACGGJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S2/c1-15-11-4-2-3-8-7-9(16(12,13)14)5-6-10(8)11/h2-7H,1H3,(H,12,13,14).
What are the key properties of 5-methylsulfanylnaphthalene-2-sulfonic acid?
5-methylsulfanylnaphthalene-2-sulfonic acid has a molecular weight of 254.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanylnaphthalene-2-sulfonic acid is sourced from PubChem (CID 6611028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).