5-amino-4-hydroxy-7-sulfanylnaphthalene-2-sulfonic acid

C10H9NO4S2 — CID 143211913

IUPAC5-amino-4-hydroxy-7-sulfanylnaphthalene-2-sulfonic acid
SMILESNc1cc(S)cc2cc(S(=O)(=O)O)cc(O)c12
InChIInChI=1S/C10H9NO4S2/c11-8-3-6(16)1-5-2-7(17(13,14)15)4-9(12)10(5)8/h1-4,12,16H,11H2,(H,13,14,15)
InChIKeyRLDFNPMECNRBJO-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.66
Rot. Bonds1

About 5-amino-4-hydroxy-7-sulfanylnaphthalene-2-sulfonic acid

5-amino-4-hydroxy-7-sulfanylnaphthalene-2-sulfonic acid (PubChem CID 143211913) has the molecular formula C10H9NO4S2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-amino-4-hydroxy-7-sulfanylnaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name5-amino-4-hydroxy-7-sulfanylnaphthalene-2-sulfonic acid
PubChem CID143211913
Molecular FormulaC10H9NO4S2
Molecular Weight271.32 g/mol
Exact Mass271.00
IUPAC Name5-amino-4-hydroxy-7-sulfanylnaphthalene-2-sulfonic acid
SMILESNc1cc(S)cc2cc(S(=O)(=O)O)cc(O)c12
InChIInChI=1S/C10H9NO4S2/c11-8-3-6(16)1-5-2-7(17(13,14)15)4-9(12)10(5)8/h1-4,12,16H,11H2,(H,13,14,15)
InChIKeyRLDFNPMECNRBJO-UHFFFAOYSA-N
XLogP1.66
TPSA100.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-amino-3,6-bis(sulfanyl)naphthalen-1-ol
CID 126707077
Chromotropic acid sodium salt
CID 88518702
disodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride
CID 173012475
4-amino-5-hydroxy-7-(sulfomethyl)naphthalene-2-sulfonic acid
CID 163932111
4,5,7-trihydroxynaphthalene-2-sulfonic acid
CID 82254474
4-amino-5-hydroxynaphthalene-2,7-disulfonic acid;N-methoxy-3-methylaniline
CID 88802837
4-amino-5-hydroxynaphthalene-2,7-disulfonic acid;N,N-diethyl-3-methylaniline
CID 88815283
7-amino-4-hydroxy-5-(2-sulfopropan-2-yl)naphthalene-2-sulfonic acid
CID 56973887
6-sulfanylnaphthalene-2-sulfonic acid
CID 57069240
3,4-diamino-5-hydroxynaphthalene-1,7-disulfonic acid
CID 143119563
3-amino-5-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)carbamoyl]benzoic acid
CID 23335900
4-amino-5-hydroxynaphthalene-1,7-disulfonic acid;5-amino-4-hydroxynaphthalene-2-sulfonic acid;sulfur trioxide
CID 158624379

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxy-7-sulfanylnaphthalene-2-sulfonic acid?
The IUPAC name of 5-amino-4-hydroxy-7-sulfanylnaphthalene-2-sulfonic acid (CID 143211913) is 5-amino-4-hydroxy-7-sulfanylnaphthalene-2-sulfonic acid.
What is the SMILES notation for 5-amino-4-hydroxy-7-sulfanylnaphthalene-2-sulfonic acid?
The canonical SMILES for 5-amino-4-hydroxy-7-sulfanylnaphthalene-2-sulfonic acid is Nc1cc(S)cc2cc(S(=O)(=O)O)cc(O)c12.
What is the InChIKey of 5-amino-4-hydroxy-7-sulfanylnaphthalene-2-sulfonic acid?
The InChIKey is RLDFNPMECNRBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S2/c11-8-3-6(16)1-5-2-7(17(13,14)15)4-9(12)10(5)8/h1-4,12,16H,11H2,(H,13,14,15).
What are the key properties of 5-amino-4-hydroxy-7-sulfanylnaphthalene-2-sulfonic acid?
5-amino-4-hydroxy-7-sulfanylnaphthalene-2-sulfonic acid has a molecular weight of 271.32 g/mol, XLogP of 1.66, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-hydroxy-7-sulfanylnaphthalene-2-sulfonic acid is sourced from PubChem (CID 143211913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).