8-sulfanylnaphthalene-1,3-disulfonic acid

C10H8O6S3 — CID 87293580

IUPAC8-sulfanylnaphthalene-1,3-disulfonic acid
SMILESO=S(=O)(O)c1cc(S(=O)(=O)O)c2c(S)cccc2c1
InChIInChI=1S/C10H8O6S3/c11-18(12,13)7-4-6-2-1-3-8(17)10(6)9(5-7)19(14,15)16/h1-5,17H,(H,11,12,13)(H,14,15,16)
InChIKeyWHPWENJJWHGZLH-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.62
Rot. Bonds2

About 8-sulfanylnaphthalene-1,3-disulfonic acid

8-sulfanylnaphthalene-1,3-disulfonic acid (PubChem CID 87293580) has the molecular formula C10H8O6S3 and a molecular weight of 320.37 g/mol. Its IUPAC name is 8-sulfanylnaphthalene-1,3-disulfonic acid.

Molecular Properties

Compound Name8-sulfanylnaphthalene-1,3-disulfonic acid
PubChem CID87293580
Molecular FormulaC10H8O6S3
Molecular Weight320.37 g/mol
Exact Mass319.95
IUPAC Name8-sulfanylnaphthalene-1,3-disulfonic acid
SMILESO=S(=O)(O)c1cc(S(=O)(=O)O)c2c(S)cccc2c1
InChIInChI=1S/C10H8O6S3/c11-18(12,13)7-4-6-2-1-3-8(17)10(6)9(5-7)19(14,15)16/h1-5,17H,(H,11,12,13)(H,14,15,16)
InChIKeyWHPWENJJWHGZLH-UHFFFAOYSA-N
XLogP1.62
TPSA108.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 8-sulfanylnaphthalene-1,3-disulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

naphthalene-1,3,8-trisulfonic acid
CID 18676649
disodium;hydride;1,1,2-trimethylbenzo[e]indole-7,9-disulfonic acid
CID 173038656
1,6-NAPHTHALENEDISULFONIC ACID, DISODIUM SALT DIHYDRATE
CID 126960168
4-fluoronaphthalene-2-sulfonic acid
CID 56841923
4-methylnaphthalene-2-sulfonic acid
CID 15706019
5-hydroxynaphthalene-1,3-disulfonic acid
CID 19366258
sodium 8-nitronaphthalene-1,3,6-trisulfonic acid
CID 54609415
5-methylsulfanylnaphthalene-2-sulfonic acid
CID 6611028
naphthalene-2-sulfonic acid
CID 8420
sodium 3-sulfonaphthalen-1-olate
CID 101310118
4-amino-5-hydroxynaphthalene-1,7-disulfonic acid;5-amino-4-hydroxynaphthalene-2-sulfonic acid;sulfur trioxide
CID 158624379
8-(quinolin-8-ylmethylideneamino)naphthalene-1,3,6-trisulfonic acid
CID 15101192

Frequently Asked Questions

What is the IUPAC name of 8-sulfanylnaphthalene-1,3-disulfonic acid?
The IUPAC name of 8-sulfanylnaphthalene-1,3-disulfonic acid (CID 87293580) is 8-sulfanylnaphthalene-1,3-disulfonic acid.
What is the SMILES notation for 8-sulfanylnaphthalene-1,3-disulfonic acid?
The canonical SMILES for 8-sulfanylnaphthalene-1,3-disulfonic acid is O=S(=O)(O)c1cc(S(=O)(=O)O)c2c(S)cccc2c1.
What is the InChIKey of 8-sulfanylnaphthalene-1,3-disulfonic acid?
The InChIKey is WHPWENJJWHGZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O6S3/c11-18(12,13)7-4-6-2-1-3-8(17)10(6)9(5-7)19(14,15)16/h1-5,17H,(H,11,12,13)(H,14,15,16).
What are the key properties of 8-sulfanylnaphthalene-1,3-disulfonic acid?
8-sulfanylnaphthalene-1,3-disulfonic acid has a molecular weight of 320.37 g/mol, XLogP of 1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-sulfanylnaphthalene-1,3-disulfonic acid is sourced from PubChem (CID 87293580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).