5-sulfanylthiophene-3-carbaldehyde

C5H4OS2 — CID 139909673

IUPAC5-sulfanylthiophene-3-carbaldehyde
SMILESO=Cc1csc(S)c1
InChIInChI=1S/C5H4OS2/c6-2-4-1-5(7)8-3-4/h1-3,7H
InChIKeyPTAYDKSOZLCHSI-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.85
Rot. Bonds1

About 5-sulfanylthiophene-3-carbaldehyde

5-sulfanylthiophene-3-carbaldehyde (PubChem CID 139909673) has the molecular formula C5H4OS2 and a molecular weight of 144.22 g/mol. Its IUPAC name is 5-sulfanylthiophene-3-carbaldehyde.

Molecular Properties

Compound Name5-sulfanylthiophene-3-carbaldehyde
PubChem CID139909673
Molecular FormulaC5H4OS2
Molecular Weight144.22 g/mol
Exact Mass143.97
IUPAC Name5-sulfanylthiophene-3-carbaldehyde
SMILESO=Cc1csc(S)c1
InChIInChI=1S/C5H4OS2/c6-2-4-1-5(7)8-3-4/h1-3,7H
InChIKeyPTAYDKSOZLCHSI-UHFFFAOYSA-N
XLogP1.85
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-formylthiophen-2-yl)boronic acid
CID 21465556
4-bromo-2-methylthiophene;5-methylthiophene-3-carbaldehyde
CID 158194298
5-[(dimethylamino)methyl]thiophene-3-carbaldehyde
CID 82412716
5-butylthiophene-3-carbaldehyde
CID 91750489
5-pentan-3-ylthiophene-3-carbaldehyde
CID 82407564
5-(2-trimethylsilylethynyl)thiophene-3-carbaldehyde
CID 167716780
7-fluoro-3-sulfanyl-1-benzothiophene-5-carbaldehyde
CID 130914889
5-[2-(dimethylamino)acetyl]thiophene-3-carbaldehyde
CID 55271946
4-amino-2-sulfanyl-1-benzothiophene-6-carbaldehyde
CID 131218721
3-(bromomethyl)-4-sulfanyl-1-benzothiophene-6-carbaldehyde
CID 131033948
5-(4-propan-2-yloxyphenyl)thiophene-3-carbaldehyde
CID 172649491
5-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde
CID 18185914

Frequently Asked Questions

What is the IUPAC name of 5-sulfanylthiophene-3-carbaldehyde?
The IUPAC name of 5-sulfanylthiophene-3-carbaldehyde (CID 139909673) is 5-sulfanylthiophene-3-carbaldehyde.
What is the SMILES notation for 5-sulfanylthiophene-3-carbaldehyde?
The canonical SMILES for 5-sulfanylthiophene-3-carbaldehyde is O=Cc1csc(S)c1.
What is the InChIKey of 5-sulfanylthiophene-3-carbaldehyde?
The InChIKey is PTAYDKSOZLCHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4OS2/c6-2-4-1-5(7)8-3-4/h1-3,7H.
What are the key properties of 5-sulfanylthiophene-3-carbaldehyde?
5-sulfanylthiophene-3-carbaldehyde has a molecular weight of 144.22 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfanylthiophene-3-carbaldehyde is sourced from PubChem (CID 139909673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).