3,6-dimethyl-5-methylsulfanylthieno[3,2-b]thiophene-2-carbaldehyde

C10H10OS3 — CID 21479727

IUPAC3,6-dimethyl-5-methylsulfanylthieno[3,2-b]thiophene-2-carbaldehyde
SMILESCSc1sc2c(C)c(C=O)sc2c1C
InChIInChI=1S/C10H10OS3/c1-5-7(4-11)13-9-6(2)10(12-3)14-8(5)9/h4H,1-3H3
InChIKeyXDTTZVODMOZOQH-UHFFFAOYSA-N
MW242.39 g/mol
LogP4.11
Rot. Bonds2

About 3,6-dimethyl-5-methylsulfanylthieno[3,2-b]thiophene-2-carbaldehyde

3,6-dimethyl-5-methylsulfanylthieno[3,2-b]thiophene-2-carbaldehyde (PubChem CID 21479727) has the molecular formula C10H10OS3 and a molecular weight of 242.39 g/mol. Its IUPAC name is 3,6-dimethyl-5-methylsulfanylthieno[3,2-b]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name3,6-dimethyl-5-methylsulfanylthieno[3,2-b]thiophene-2-carbaldehyde
PubChem CID21479727
Molecular FormulaC10H10OS3
Molecular Weight242.39 g/mol
Exact Mass241.99
IUPAC Name3,6-dimethyl-5-methylsulfanylthieno[3,2-b]thiophene-2-carbaldehyde
SMILESCSc1sc2c(C)c(C=O)sc2c1C
InChIInChI=1S/C10H10OS3/c1-5-7(4-11)13-9-6(2)10(12-3)14-8(5)9/h4H,1-3H3
InChIKeyXDTTZVODMOZOQH-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-5-methylsulfanylthieno[3,2-b]thiophene-2-carbaldehyde?
The IUPAC name of 3,6-dimethyl-5-methylsulfanylthieno[3,2-b]thiophene-2-carbaldehyde (CID 21479727) is 3,6-dimethyl-5-methylsulfanylthieno[3,2-b]thiophene-2-carbaldehyde.
What is the SMILES notation for 3,6-dimethyl-5-methylsulfanylthieno[3,2-b]thiophene-2-carbaldehyde?
The canonical SMILES for 3,6-dimethyl-5-methylsulfanylthieno[3,2-b]thiophene-2-carbaldehyde is CSc1sc2c(C)c(C=O)sc2c1C.
What is the InChIKey of 3,6-dimethyl-5-methylsulfanylthieno[3,2-b]thiophene-2-carbaldehyde?
The InChIKey is XDTTZVODMOZOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS3/c1-5-7(4-11)13-9-6(2)10(12-3)14-8(5)9/h4H,1-3H3.
What are the key properties of 3,6-dimethyl-5-methylsulfanylthieno[3,2-b]thiophene-2-carbaldehyde?
3,6-dimethyl-5-methylsulfanylthieno[3,2-b]thiophene-2-carbaldehyde has a molecular weight of 242.39 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5-methylsulfanylthieno[3,2-b]thiophene-2-carbaldehyde is sourced from PubChem (CID 21479727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).