5-(2-hydroxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid

C10H8N2O3S — CID 117224711

IUPAC5-(2-hydroxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid
SMILESO=C(O)c1[nH]c(=S)[nH]c1-c1ccccc1O
InChIInChI=1S/C10H8N2O3S/c13-6-4-2-1-3-5(6)7-8(9(14)15)12-10(16)11-7/h1-4,13H,(H,14,15)(H2,11,12,16)
InChIKeyFRMBKGBNCKMOGJ-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.14
Rot. Bonds2

About 5-(2-hydroxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid

5-(2-hydroxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid (PubChem CID 117224711) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is 5-(2-hydroxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid
PubChem CID117224711
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name5-(2-hydroxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid
SMILESO=C(O)c1[nH]c(=S)[nH]c1-c1ccccc1O
InChIInChI=1S/C10H8N2O3S/c13-6-4-2-1-3-5(6)7-8(9(14)15)12-10(16)11-7/h1-4,13H,(H,14,15)(H2,11,12,16)
InChIKeyFRMBKGBNCKMOGJ-UHFFFAOYSA-N
XLogP2.14
TPSA89.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid
CID 82389747
6-(2-hydroxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid
CID 102109161
5-(4-bromophenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid
CID 117224716
5-(3,4-difluorophenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid
CID 116824051
oxalic acid;2-phenylphenol
CID 162319962
5-methyl-2,4-bis(sulfanylidene)-1H-pyrimidine-6-carboxylic acid
CID 3034553
2-sulfanylidene-5-[[2-(trifluoromethyl)phenyl]methyl]-1,3-dihydroimidazole-4-carboxylic acid
CID 117224658
5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid
CID 135478439
3-sulfanylidene-2H-imidazo[1,5-a]pyridine-1-carboxylic acid
CID 116984038
4-(2-hydroxyphenyl)-5-methyl-3H-1,3-oxazol-2-one
CID 105444696
2-[3-(5-cyano-4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)phenyl]benzoic acid
CID 134433718
5-(2-methoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxylic acid
CID 53271857

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid?
The IUPAC name of 5-(2-hydroxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid (CID 117224711) is 5-(2-hydroxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid?
The canonical SMILES for 5-(2-hydroxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid is O=C(O)c1[nH]c(=S)[nH]c1-c1ccccc1O.
What is the InChIKey of 5-(2-hydroxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid?
The InChIKey is FRMBKGBNCKMOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c13-6-4-2-1-3-5(6)7-8(9(14)15)12-10(16)11-7/h1-4,13H,(H,14,15)(H2,11,12,16).
What are the key properties of 5-(2-hydroxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid?
5-(2-hydroxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid has a molecular weight of 236.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyphenyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylic acid is sourced from PubChem (CID 117224711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).