3-(1,2-benzotellurazol-2-ium-2-yl)propyl hydrogen sulfate hydroxide

C10H13NO5STe — CID 88517108

IUPAC3-(1,2-benzotellurazol-2-ium-2-yl)propyl hydrogen sulfate hydroxide
SMILESO=S(=O)(O)OCCC[n+]1cc2ccccc2[te]1.[OH-]
InChIInChI=1S/C10H11NO4STe.H2O/c12-16(13,14)15-7-3-6-11-8-9-4-1-2-5-10(9)17-11;/h1-2,4-5,8H,3,6-7H2;1H2
InChIKeyPZBGZFAZYUWEBT-UHFFFAOYSA-N
MW386.88 g/mol
LogP0.22
Rot. Bonds5

About 3-(1,2-benzotellurazol-2-ium-2-yl)propyl hydrogen sulfate hydroxide

3-(1,2-benzotellurazol-2-ium-2-yl)propyl hydrogen sulfate hydroxide (PubChem CID 88517108) has the molecular formula C10H13NO5STe and a molecular weight of 386.88 g/mol. Its IUPAC name is 3-(1,2-benzotellurazol-2-ium-2-yl)propyl hydrogen sulfate hydroxide.

Molecular Properties

Compound Name3-(1,2-benzotellurazol-2-ium-2-yl)propyl hydrogen sulfate hydroxide
PubChem CID88517108
Molecular FormulaC10H13NO5STe
Molecular Weight386.88 g/mol
Exact Mass388.96
IUPAC Name3-(1,2-benzotellurazol-2-ium-2-yl)propyl hydrogen sulfate hydroxide
SMILESO=S(=O)(O)OCCC[n+]1cc2ccccc2[te]1.[OH-]
InChIInChI=1S/C10H11NO4STe.H2O/c12-16(13,14)15-7-3-6-11-8-9-4-1-2-5-10(9)17-11;/h1-2,4-5,8H,3,6-7H2;1H2
InChIKeyPZBGZFAZYUWEBT-UHFFFAOYSA-N
XLogP0.22
TPSA97.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-benzotellurazol-2-ium-2-yl)propyl hydrogen sulfate hydroxide?
The IUPAC name of 3-(1,2-benzotellurazol-2-ium-2-yl)propyl hydrogen sulfate hydroxide (CID 88517108) is 3-(1,2-benzotellurazol-2-ium-2-yl)propyl hydrogen sulfate hydroxide.
What is the SMILES notation for 3-(1,2-benzotellurazol-2-ium-2-yl)propyl hydrogen sulfate hydroxide?
The canonical SMILES for 3-(1,2-benzotellurazol-2-ium-2-yl)propyl hydrogen sulfate hydroxide is O=S(=O)(O)OCCC[n+]1cc2ccccc2[te]1.[OH-].
What is the InChIKey of 3-(1,2-benzotellurazol-2-ium-2-yl)propyl hydrogen sulfate hydroxide?
The InChIKey is PZBGZFAZYUWEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4STe.H2O/c12-16(13,14)15-7-3-6-11-8-9-4-1-2-5-10(9)17-11;/h1-2,4-5,8H,3,6-7H2;1H2.
What are the key properties of 3-(1,2-benzotellurazol-2-ium-2-yl)propyl hydrogen sulfate hydroxide?
3-(1,2-benzotellurazol-2-ium-2-yl)propyl hydrogen sulfate hydroxide has a molecular weight of 386.88 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-benzotellurazol-2-ium-2-yl)propyl hydrogen sulfate hydroxide is sourced from PubChem (CID 88517108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).