2-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylacetaldehyde

C5H8N4O2S — CID 173388789

IUPAC2-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylacetaldehyde
SMILESO=CCSc1nnnn1CCO
InChIInChI=1S/C5H8N4O2S/c10-2-1-9-5(6-7-8-9)12-4-3-11/h3,10H,1-2,4H2
InChIKeyKELGGKVCMXRFDC-UHFFFAOYSA-N
MW188.21 g/mol
LogP-1.04
Rot. Bonds5

About 2-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylacetaldehyde

2-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylacetaldehyde (PubChem CID 173388789) has the molecular formula C5H8N4O2S and a molecular weight of 188.21 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylacetaldehyde.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylacetaldehyde
PubChem CID173388789
Molecular FormulaC5H8N4O2S
Molecular Weight188.21 g/mol
Exact Mass188.04
IUPAC Name2-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylacetaldehyde
SMILESO=CCSc1nnnn1CCO
InChIInChI=1S/C5H8N4O2S/c10-2-1-9-5(6-7-8-9)12-4-3-11/h3,10H,1-2,4H2
InChIKeyKELGGKVCMXRFDC-UHFFFAOYSA-N
XLogP-1.04
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylacetaldehyde?
The IUPAC name of 2-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylacetaldehyde (CID 173388789) is 2-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylacetaldehyde.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylacetaldehyde?
The canonical SMILES for 2-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylacetaldehyde is O=CCSc1nnnn1CCO.
What is the InChIKey of 2-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylacetaldehyde?
The InChIKey is KELGGKVCMXRFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2S/c10-2-1-9-5(6-7-8-9)12-4-3-11/h3,10H,1-2,4H2.
What are the key properties of 2-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylacetaldehyde?
2-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylacetaldehyde has a molecular weight of 188.21 g/mol, XLogP of -1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)tetrazol-5-yl]sulfanylacetaldehyde is sourced from PubChem (CID 173388789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).