5-(5-methylthiophen-2-yl)thiophene-2-carbaldehyde

C10H8OS2 — CID 4987278

IUPAC5-(5-methylthiophen-2-yl)thiophene-2-carbaldehyde
SMILESCc1ccc(-c2ccc(C=O)s2)s1
InChIInChI=1S/C10H8OS2/c1-7-2-4-9(12-7)10-5-3-8(6-11)13-10/h2-6H,1H3
InChIKeyHLFSBWRCOPCECM-UHFFFAOYSA-N
MW208.31 g/mol
LogP3.60
Rot. Bonds2

About 5-(5-methylthiophen-2-yl)thiophene-2-carbaldehyde

5-(5-methylthiophen-2-yl)thiophene-2-carbaldehyde (PubChem CID 4987278) has the molecular formula C10H8OS2 and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)thiophene-2-carbaldehyde
PubChem CID4987278
Molecular FormulaC10H8OS2
Molecular Weight208.31 g/mol
Exact Mass208.00
IUPAC Name5-(5-methylthiophen-2-yl)thiophene-2-carbaldehyde
SMILESCc1ccc(-c2ccc(C=O)s2)s1
InChIInChI=1S/C10H8OS2/c1-7-2-4-9(12-7)10-5-3-8(6-11)13-10/h2-6H,1H3
InChIKeyHLFSBWRCOPCECM-UHFFFAOYSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(5-methylthiophen-2-yl)thiophene-2-carbaldehyde (CID 4987278) is 5-(5-methylthiophen-2-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(5-methylthiophen-2-yl)thiophene-2-carbaldehyde is Cc1ccc(-c2ccc(C=O)s2)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)thiophene-2-carbaldehyde?
The InChIKey is HLFSBWRCOPCECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8OS2/c1-7-2-4-9(12-7)10-5-3-8(6-11)13-10/h2-6H,1H3.
What are the key properties of 5-(5-methylthiophen-2-yl)thiophene-2-carbaldehyde?
5-(5-methylthiophen-2-yl)thiophene-2-carbaldehyde has a molecular weight of 208.31 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 4987278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).