2-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]acetaldehyde

C5H6N2OS2 — CID 173401752

IUPAC2-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]acetaldehyde
SMILESCc1nc(SCC=O)ns1
InChIInChI=1S/C5H6N2OS2/c1-4-6-5(7-10-4)9-3-2-8/h2H,3H2,1H3
InChIKeyZQEZMISMYVHGLJ-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.14
Rot. Bonds3

About 2-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]acetaldehyde

2-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]acetaldehyde (PubChem CID 173401752) has the molecular formula C5H6N2OS2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]acetaldehyde.

Molecular Properties

Compound Name2-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]acetaldehyde
PubChem CID173401752
Molecular FormulaC5H6N2OS2
Molecular Weight174.25 g/mol
Exact Mass173.99
IUPAC Name2-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]acetaldehyde
SMILESCc1nc(SCC=O)ns1
InChIInChI=1S/C5H6N2OS2/c1-4-6-5(7-10-4)9-3-2-8/h2H,3H2,1H3
InChIKeyZQEZMISMYVHGLJ-UHFFFAOYSA-N
XLogP1.14
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]acetaldehyde?
The IUPAC name of 2-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]acetaldehyde (CID 173401752) is 2-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]acetaldehyde.
What is the SMILES notation for 2-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]acetaldehyde?
The canonical SMILES for 2-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]acetaldehyde is Cc1nc(SCC=O)ns1.
What is the InChIKey of 2-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]acetaldehyde?
The InChIKey is ZQEZMISMYVHGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS2/c1-4-6-5(7-10-4)9-3-2-8/h2H,3H2,1H3.
What are the key properties of 2-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]acetaldehyde?
2-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]acetaldehyde has a molecular weight of 174.25 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2,4-thiadiazol-3-yl)sulfanyl]acetaldehyde is sourced from PubChem (CID 173401752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).