2-hydroxy-5-(sulfanylamino)benzoic acid

C7H7NO3S — CID 170946645

IUPAC2-hydroxy-5-(sulfanylamino)benzoic acid
SMILESO=C(O)c1cc(NS)ccc1O
InChIInChI=1S/C7H7NO3S/c9-6-2-1-4(8-12)3-5(6)7(10)11/h1-3,8-9,12H,(H,10,11)
InChIKeyDSMIMBHZKXODEA-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.35
Rot. Bonds2

About 2-hydroxy-5-(sulfanylamino)benzoic acid

2-hydroxy-5-(sulfanylamino)benzoic acid (PubChem CID 170946645) has the molecular formula C7H7NO3S and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-hydroxy-5-(sulfanylamino)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(sulfanylamino)benzoic acid
PubChem CID170946645
Molecular FormulaC7H7NO3S
Molecular Weight185.20 g/mol
Exact Mass185.01
IUPAC Name2-hydroxy-5-(sulfanylamino)benzoic acid
SMILESO=C(O)c1cc(NS)ccc1O
InChIInChI=1S/C7H7NO3S/c9-6-2-1-4(8-12)3-5(6)7(10)11/h1-3,8-9,12H,(H,10,11)
InChIKeyDSMIMBHZKXODEA-UHFFFAOYSA-N
XLogP1.35
TPSA69.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-[(4-methoxy-4-oxobutanoyl)amino]benzoic acid
CID 108808740
5-(but-3-enoylamino)-2-hydroxybenzoic acid
CID 62685346
2-hydroxy-5-(3,3,3-trifluoropropanoylamino)benzoic acid
CID 16777039
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
5-(cyanomethylamino)-2-hydroxybenzoic acid
CID 45089274
5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid
CID 28777069
5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 114343235
5-(2,2-dicyanoethenylamino)-2-hydroxybenzoic acid
CID 168511873
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
4-hydroxybenzene-1,3-dicarboxylic acid
CID 161113247
2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 10377562
5-[[4-[(3-carboxy-4-hydroxyphenyl)sulfonylamino]phenyl]sulfamoyl]-2-hydroxybenzoic acid
CID 25046771

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(sulfanylamino)benzoic acid?
The IUPAC name of 2-hydroxy-5-(sulfanylamino)benzoic acid (CID 170946645) is 2-hydroxy-5-(sulfanylamino)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(sulfanylamino)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(sulfanylamino)benzoic acid is O=C(O)c1cc(NS)ccc1O.
What is the InChIKey of 2-hydroxy-5-(sulfanylamino)benzoic acid?
The InChIKey is DSMIMBHZKXODEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3S/c9-6-2-1-4(8-12)3-5(6)7(10)11/h1-3,8-9,12H,(H,10,11).
What are the key properties of 2-hydroxy-5-(sulfanylamino)benzoic acid?
2-hydroxy-5-(sulfanylamino)benzoic acid has a molecular weight of 185.20 g/mol, XLogP of 1.35, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(sulfanylamino)benzoic acid is sourced from PubChem (CID 170946645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).