(5-ethylthiophen-2-yl)-thiophen-3-ylmethanone

C11H10OS2 — CID 13356126

IUPAC(5-ethylthiophen-2-yl)-thiophen-3-ylmethanone
SMILESCCc1ccc(C(=O)c2ccsc2)s1
InChIInChI=1S/C11H10OS2/c1-2-9-3-4-10(14-9)11(12)8-5-6-13-7-8/h3-7H,2H2,1H3
InChIKeyQWABCZUZLSBNKD-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.60
Rot. Bonds3

About (5-ethylthiophen-2-yl)-thiophen-3-ylmethanone

(5-ethylthiophen-2-yl)-thiophen-3-ylmethanone (PubChem CID 13356126) has the molecular formula C11H10OS2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-thiophen-3-ylmethanone
PubChem CID13356126
Molecular FormulaC11H10OS2
Molecular Weight222.33 g/mol
Exact Mass222.02
IUPAC Name(5-ethylthiophen-2-yl)-thiophen-3-ylmethanone
SMILESCCc1ccc(C(=O)c2ccsc2)s1
InChIInChI=1S/C11H10OS2/c1-2-9-3-4-10(14-9)11(12)8-5-6-13-7-8/h3-7H,2H2,1H3
InChIKeyQWABCZUZLSBNKD-UHFFFAOYSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-thiophen-3-ylmethanone?
The IUPAC name of (5-ethylthiophen-2-yl)-thiophen-3-ylmethanone (CID 13356126) is (5-ethylthiophen-2-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (5-ethylthiophen-2-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (5-ethylthiophen-2-yl)-thiophen-3-ylmethanone is CCc1ccc(C(=O)c2ccsc2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-thiophen-3-ylmethanone?
The InChIKey is QWABCZUZLSBNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10OS2/c1-2-9-3-4-10(14-9)11(12)8-5-6-13-7-8/h3-7H,2H2,1H3.
What are the key properties of (5-ethylthiophen-2-yl)-thiophen-3-ylmethanone?
(5-ethylthiophen-2-yl)-thiophen-3-ylmethanone has a molecular weight of 222.33 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 13356126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).