3-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)benzoic acid

C10H7NO3S2 — CID 57264705

IUPAC3-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)benzoic acid
SMILESO=C(O)c1cccc(-n2c(O)csc2=S)c1
InChIInChI=1S/C10H7NO3S2/c12-8-5-16-10(15)11(8)7-3-1-2-6(4-7)9(13)14/h1-5,12H,(H,13,14)
InChIKeyZHAKSCDRDBCGSQ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.67
Rot. Bonds2

About 3-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)benzoic acid

3-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)benzoic acid (PubChem CID 57264705) has the molecular formula C10H7NO3S2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)benzoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)benzoic acid
PubChem CID57264705
Molecular FormulaC10H7NO3S2
Molecular Weight253.30 g/mol
Exact Mass252.99
IUPAC Name3-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)benzoic acid
SMILESO=C(O)c1cccc(-n2c(O)csc2=S)c1
InChIInChI=1S/C10H7NO3S2/c12-8-5-16-10(15)11(8)7-3-1-2-6(4-7)9(13)14/h1-5,12H,(H,13,14)
InChIKeyZHAKSCDRDBCGSQ-UHFFFAOYSA-N
XLogP2.67
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dihydroxypyrrol-1-yl)benzoic acid
CID 91932579
4-hydroxy-3-(3-nitrophenyl)-1,3-thiazole-2-thione
CID 57100803
3-(1,3-dihydroisoindol-2-yl)benzoic acid
CID 937745
3-[5-hydroxy-3-(4-methylphenyl)-2-oxoimidazol-1-yl]benzoic acid
CID 90848150
3-[5-hydroxy-3-(4-iodophenyl)-2-oxoimidazol-1-yl]benzoic acid
CID 91104018
benzene-1,3-dicarboxylic acid;phosphane
CID 87088729
benzene-1,3-dicarboxylic acid;rhodium
CID 158643535
CID 139146863
CID 139146863
benzene-1,3-dicarboxylic acid;titanium
CID 87166459
CID 175726263
CID 175726263
3-[4-hydroxy-5-[(5-methoxyindol-3-ylidene)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzoic acid
CID 136920037
3-(2-oxo-3H-benzimidazol-1-yl)benzoic acid
CID 82513951

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)benzoic acid?
The IUPAC name of 3-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)benzoic acid (CID 57264705) is 3-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)benzoic acid.
What is the SMILES notation for 3-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)benzoic acid?
The canonical SMILES for 3-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)benzoic acid is O=C(O)c1cccc(-n2c(O)csc2=S)c1.
What is the InChIKey of 3-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)benzoic acid?
The InChIKey is ZHAKSCDRDBCGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3S2/c12-8-5-16-10(15)11(8)7-3-1-2-6(4-7)9(13)14/h1-5,12H,(H,13,14).
What are the key properties of 3-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)benzoic acid?
3-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)benzoic acid has a molecular weight of 253.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)benzoic acid is sourced from PubChem (CID 57264705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).