5-tert-butylsulfonylthiophene-2,4-dicarbaldehyde

C10H12O4S2 — CID 511490

IUPAC5-tert-butylsulfonylthiophene-2,4-dicarbaldehyde
SMILESCC(C)(C)S(=O)(=O)c1sc(C=O)cc1C=O
InChIInChI=1S/C10H12O4S2/c1-10(2,3)16(13,14)9-7(5-11)4-8(6-12)15-9/h4-6H,1-3H3
InChIKeyNXOAELMUQIBSBN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.95
Rot. Bonds3

About 5-tert-butylsulfonylthiophene-2,4-dicarbaldehyde

5-tert-butylsulfonylthiophene-2,4-dicarbaldehyde (PubChem CID 511490) has the molecular formula C10H12O4S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-tert-butylsulfonylthiophene-2,4-dicarbaldehyde.

Molecular Properties

Compound Name5-tert-butylsulfonylthiophene-2,4-dicarbaldehyde
PubChem CID511490
Molecular FormulaC10H12O4S2
Molecular Weight260.34 g/mol
Exact Mass260.02
IUPAC Name5-tert-butylsulfonylthiophene-2,4-dicarbaldehyde
SMILESCC(C)(C)S(=O)(=O)c1sc(C=O)cc1C=O
InChIInChI=1S/C10H12O4S2/c1-10(2,3)16(13,14)9-7(5-11)4-8(6-12)15-9/h4-6H,1-3H3
InChIKeyNXOAELMUQIBSBN-UHFFFAOYSA-N
XLogP1.95
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dimethylthiophene-3-carbaldehyde
CID 2762759
4-Methylthiophene-2-carbaldehyde
CID 2795526
AC1Nplxi
CID 5206249
Thiophene-2,4-dicarboxaldehyde
CID 1415677
5-Methylthiophene-3-carbaldehyde
CID 6502011
4,5-Dimethylthiophene-2-carboxaldehyde
CID 2733926
5-Methyl-2-(methylthio)thiophene-3-carbaldehyde
CID 770027
5-Methanesulfonylthiophene-2-carbaldehyde
CID 20623963
4-Methanesulfonylthiophene-2-carbaldehyde
CID 138040855
5-Ethyl-2-butylthio-3-thiophenealdehyde
CID 13351693
2-Phenylsulfonylthiophene-3-carbaldehyde
CID 13413612
5-Methylsulfinyl-2-thiophencarbaldehyd
CID 12746827

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfonylthiophene-2,4-dicarbaldehyde?
The IUPAC name of 5-tert-butylsulfonylthiophene-2,4-dicarbaldehyde (CID 511490) is 5-tert-butylsulfonylthiophene-2,4-dicarbaldehyde.
What is the SMILES notation for 5-tert-butylsulfonylthiophene-2,4-dicarbaldehyde?
The canonical SMILES for 5-tert-butylsulfonylthiophene-2,4-dicarbaldehyde is CC(C)(C)S(=O)(=O)c1sc(C=O)cc1C=O.
What is the InChIKey of 5-tert-butylsulfonylthiophene-2,4-dicarbaldehyde?
The InChIKey is NXOAELMUQIBSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4S2/c1-10(2,3)16(13,14)9-7(5-11)4-8(6-12)15-9/h4-6H,1-3H3.
What are the key properties of 5-tert-butylsulfonylthiophene-2,4-dicarbaldehyde?
5-tert-butylsulfonylthiophene-2,4-dicarbaldehyde has a molecular weight of 260.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfonylthiophene-2,4-dicarbaldehyde is sourced from PubChem (CID 511490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).