2-sulfanyl-2-(thiadiazol-4-yl)acetaldehyde

C4H4N2OS2 — CID 173424537

IUPAC2-sulfanyl-2-(thiadiazol-4-yl)acetaldehyde
SMILESO=CC(S)c1csnn1
InChIInChI=1S/C4H4N2OS2/c7-1-4(8)3-2-9-6-5-3/h1-2,4,8H
InChIKeyONNYCNRWMRIYKG-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.71
Rot. Bonds2

About 2-sulfanyl-2-(thiadiazol-4-yl)acetaldehyde

2-sulfanyl-2-(thiadiazol-4-yl)acetaldehyde (PubChem CID 173424537) has the molecular formula C4H4N2OS2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-sulfanyl-2-(thiadiazol-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-sulfanyl-2-(thiadiazol-4-yl)acetaldehyde
PubChem CID173424537
Molecular FormulaC4H4N2OS2
Molecular Weight160.22 g/mol
Exact Mass159.98
IUPAC Name2-sulfanyl-2-(thiadiazol-4-yl)acetaldehyde
SMILESO=CC(S)c1csnn1
InChIInChI=1S/C4H4N2OS2/c7-1-4(8)3-2-9-6-5-3/h1-2,4,8H
InChIKeyONNYCNRWMRIYKG-UHFFFAOYSA-N
XLogP0.71
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(1,2,3-Thiadiazol-4-yl)propanal
CID 53664800
2-Oxo-3-(thiadiazol-4-yl)propanal
CID 53768918
2-Chloro-2-(thiadiazol-4-yl)acetaldehyde
CID 53901320
2-(1,2,3-Thiadiazol-4-yl)acetaldehyde
CID 53924770
3-(1,2,3-Thiadiazol-4-yl)propanal
CID 54477379
2-(thiadiazol-4-yl)ethanethioic S-acid
CID 87901002
2-Methyl-2-(1,2,3-thiadiazol-4-yl)propanal
CID 165759732

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-2-(thiadiazol-4-yl)acetaldehyde?
The IUPAC name of 2-sulfanyl-2-(thiadiazol-4-yl)acetaldehyde (CID 173424537) is 2-sulfanyl-2-(thiadiazol-4-yl)acetaldehyde.
What is the SMILES notation for 2-sulfanyl-2-(thiadiazol-4-yl)acetaldehyde?
The canonical SMILES for 2-sulfanyl-2-(thiadiazol-4-yl)acetaldehyde is O=CC(S)c1csnn1.
What is the InChIKey of 2-sulfanyl-2-(thiadiazol-4-yl)acetaldehyde?
The InChIKey is ONNYCNRWMRIYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2OS2/c7-1-4(8)3-2-9-6-5-3/h1-2,4,8H.
What are the key properties of 2-sulfanyl-2-(thiadiazol-4-yl)acetaldehyde?
2-sulfanyl-2-(thiadiazol-4-yl)acetaldehyde has a molecular weight of 160.22 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-2-(thiadiazol-4-yl)acetaldehyde is sourced from PubChem (CID 173424537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).