hydroxy(1H-imidazol-2-yl)methanesulfonic acid

C4H6N2O4S — CID 174358851

IUPAChydroxy(1H-imidazol-2-yl)methanesulfonic acid
SMILESO=S(=O)(O)C(O)c1ncc[nH]1
InChIInChI=1S/C4H6N2O4S/c7-4(11(8,9)10)3-5-1-2-6-3/h1-2,4,7H,(H,5,6)(H,8,9,10)
InChIKeyYXFFCFALJNNLKC-UHFFFAOYSA-N
MW178.17 g/mol
LogP-0.71
Rot. Bonds2

About hydroxy(1H-imidazol-2-yl)methanesulfonic acid

hydroxy(1H-imidazol-2-yl)methanesulfonic acid (PubChem CID 174358851) has the molecular formula C4H6N2O4S and a molecular weight of 178.17 g/mol. Its IUPAC name is hydroxy(1H-imidazol-2-yl)methanesulfonic acid.

Molecular Properties

Compound Namehydroxy(1H-imidazol-2-yl)methanesulfonic acid
PubChem CID174358851
Molecular FormulaC4H6N2O4S
Molecular Weight178.17 g/mol
Exact Mass178.00
IUPAC Namehydroxy(1H-imidazol-2-yl)methanesulfonic acid
SMILESO=S(=O)(O)C(O)c1ncc[nH]1
InChIInChI=1S/C4H6N2O4S/c7-4(11(8,9)10)3-5-1-2-6-3/h1-2,4,7H,(H,5,6)(H,8,9,10)
InChIKeyYXFFCFALJNNLKC-UHFFFAOYSA-N
XLogP-0.71
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(1H-imidazol-2-yl)acetic acid;hydrochloride
CID 156696952
3-chloro-1-(1H-imidazol-2-yl)propane-1,2-diol
CID 171861421
1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride
CID 55254704
hydrazine;2-propan-2-yl-1H-imidazole
CID 158955026
S-[2,3-dihydroxy-3-(1H-imidazol-2-yl)propyl] ethanethioate
CID 170821319
1H-imidazol-2-yl(pyridin-2-yl)methanol
CID 75511261
methyl 2-(1H-imidazol-2-yl)propanoate
CID 67005810
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-(1H-imidazol-2-yl)ethanesulfonic acid;1H-imidazole
CID 87564071
1-(1H-imidazol-2-yl)ethanamine;hydrochloride
CID 86811802
(1R)-1-(1H-imidazol-2-yl)-2-methylpropan-1-amine
CID 15343447
1,3-bis[1-(1H-imidazol-2-yl)propyl]urea
CID 162195808
furan-2-yl(1H-imidazol-2-yl)methanol
CID 75356487

Frequently Asked Questions

What is the IUPAC name of hydroxy(1H-imidazol-2-yl)methanesulfonic acid?
The IUPAC name of hydroxy(1H-imidazol-2-yl)methanesulfonic acid (CID 174358851) is hydroxy(1H-imidazol-2-yl)methanesulfonic acid.
What is the SMILES notation for hydroxy(1H-imidazol-2-yl)methanesulfonic acid?
The canonical SMILES for hydroxy(1H-imidazol-2-yl)methanesulfonic acid is O=S(=O)(O)C(O)c1ncc[nH]1.
What is the InChIKey of hydroxy(1H-imidazol-2-yl)methanesulfonic acid?
The InChIKey is YXFFCFALJNNLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O4S/c7-4(11(8,9)10)3-5-1-2-6-3/h1-2,4,7H,(H,5,6)(H,8,9,10).
What are the key properties of hydroxy(1H-imidazol-2-yl)methanesulfonic acid?
hydroxy(1H-imidazol-2-yl)methanesulfonic acid has a molecular weight of 178.17 g/mol, XLogP of -0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(1H-imidazol-2-yl)methanesulfonic acid is sourced from PubChem (CID 174358851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).