2-(thiadiazol-4-yl)ethanethial

C4H4N2S2 — CID 54156344

IUPAC2-(thiadiazol-4-yl)ethanethial
SMILESS=CCc1csnn1
InChIInChI=1S/C4H4N2S2/c7-2-1-4-3-8-6-5-4/h2-3H,1H2
InChIKeySEDJRXKAZMMFNS-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.08
Rot. Bonds2

About 2-(thiadiazol-4-yl)ethanethial

2-(thiadiazol-4-yl)ethanethial (PubChem CID 54156344) has the molecular formula C4H4N2S2 and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-(thiadiazol-4-yl)ethanethial.

Molecular Properties

Compound Name2-(thiadiazol-4-yl)ethanethial
PubChem CID54156344
Molecular FormulaC4H4N2S2
Molecular Weight144.22 g/mol
Exact Mass143.98
IUPAC Name2-(thiadiazol-4-yl)ethanethial
SMILESS=CCc1csnn1
InChIInChI=1S/C4H4N2S2/c7-2-1-4-3-8-6-5-4/h2-3H,1H2
InChIKeySEDJRXKAZMMFNS-UHFFFAOYSA-N
XLogP1.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(thiadiazol-4-yl)ethanethial?
The IUPAC name of 2-(thiadiazol-4-yl)ethanethial (CID 54156344) is 2-(thiadiazol-4-yl)ethanethial.
What is the SMILES notation for 2-(thiadiazol-4-yl)ethanethial?
The canonical SMILES for 2-(thiadiazol-4-yl)ethanethial is S=CCc1csnn1.
What is the InChIKey of 2-(thiadiazol-4-yl)ethanethial?
The InChIKey is SEDJRXKAZMMFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2S2/c7-2-1-4-3-8-6-5-4/h2-3H,1H2.
What are the key properties of 2-(thiadiazol-4-yl)ethanethial?
2-(thiadiazol-4-yl)ethanethial has a molecular weight of 144.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazol-4-yl)ethanethial is sourced from PubChem (CID 54156344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).