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

C10H10OS2Se — CID 10732155

IUPAC3,6-dimethyl-5-methylselanylthieno[3,2-b]thiophene-2-carbaldehyde
SMILESC[Se]c1sc2c(C)c(C=O)sc2c1C
InChIInChI=1S/C10H10OS2Se/c1-5-7(4-11)12-9-6(2)10(14-3)13-8(5)9/h4H,1-3H3
InChIKeyOYKHIAUNDIVXKR-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.77
Rot. Bonds2

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

3,6-dimethyl-5-methylselanylthieno[3,2-b]thiophene-2-carbaldehyde (PubChem CID 10732155) has the molecular formula C10H10OS2Se and a molecular weight of 289.28 g/mol. Its IUPAC name is 3,6-dimethyl-5-methylselanylthieno[3,2-b]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name3,6-dimethyl-5-methylselanylthieno[3,2-b]thiophene-2-carbaldehyde
PubChem CID10732155
Molecular FormulaC10H10OS2Se
Molecular Weight289.28 g/mol
Exact Mass289.93
IUPAC Name3,6-dimethyl-5-methylselanylthieno[3,2-b]thiophene-2-carbaldehyde
SMILESC[Se]c1sc2c(C)c(C=O)sc2c1C
InChIInChI=1S/C10H10OS2Se/c1-5-7(4-11)12-9-6(2)10(14-3)13-8(5)9/h4H,1-3H3
InChIKeyOYKHIAUNDIVXKR-UHFFFAOYSA-N
XLogP2.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-5-methylselanylthieno[3,2-b]thiophene-2-carbaldehyde?
The IUPAC name of 3,6-dimethyl-5-methylselanylthieno[3,2-b]thiophene-2-carbaldehyde (CID 10732155) is 3,6-dimethyl-5-methylselanylthieno[3,2-b]thiophene-2-carbaldehyde.
What is the SMILES notation for 3,6-dimethyl-5-methylselanylthieno[3,2-b]thiophene-2-carbaldehyde?
The canonical SMILES for 3,6-dimethyl-5-methylselanylthieno[3,2-b]thiophene-2-carbaldehyde is C[Se]c1sc2c(C)c(C=O)sc2c1C.
What is the InChIKey of 3,6-dimethyl-5-methylselanylthieno[3,2-b]thiophene-2-carbaldehyde?
The InChIKey is OYKHIAUNDIVXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS2Se/c1-5-7(4-11)12-9-6(2)10(14-3)13-8(5)9/h4H,1-3H3.
What are the key properties of 3,6-dimethyl-5-methylselanylthieno[3,2-b]thiophene-2-carbaldehyde?
3,6-dimethyl-5-methylselanylthieno[3,2-b]thiophene-2-carbaldehyde has a molecular weight of 289.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-5-methylselanylthieno[3,2-b]thiophene-2-carbaldehyde is sourced from PubChem (CID 10732155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).