methyl 2-[5-(5-formylthiophen-2-yl)thiophen-2-yl]acetate

C12H10O3S2 — CID 10355578

IUPACmethyl 2-[5-(5-formylthiophen-2-yl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc(C=O)s2)s1
InChIInChI=1S/C12H10O3S2/c1-15-12(14)6-8-2-4-10(16-8)11-5-3-9(7-13)17-11/h2-5,7H,6H2,1H3
InChIKeyOWZYPYPWDVNCSN-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.00
Rot. Bonds4

About methyl 2-[5-(5-formylthiophen-2-yl)thiophen-2-yl]acetate

methyl 2-[5-(5-formylthiophen-2-yl)thiophen-2-yl]acetate (PubChem CID 10355578) has the molecular formula C12H10O3S2 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 2-[5-(5-formylthiophen-2-yl)thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(5-formylthiophen-2-yl)thiophen-2-yl]acetate
PubChem CID10355578
Molecular FormulaC12H10O3S2
Molecular Weight266.34 g/mol
Exact Mass266.01
IUPAC Namemethyl 2-[5-(5-formylthiophen-2-yl)thiophen-2-yl]acetate
SMILESCOC(=O)Cc1ccc(-c2ccc(C=O)s2)s1
InChIInChI=1S/C12H10O3S2/c1-15-12(14)6-8-2-4-10(16-8)11-5-3-9(7-13)17-11/h2-5,7H,6H2,1H3
InChIKeyOWZYPYPWDVNCSN-UHFFFAOYSA-N
XLogP3.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(5-formylthiophen-2-yl)thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-(5-formylthiophen-2-yl)thiophen-2-yl]acetate (CID 10355578) is methyl 2-[5-(5-formylthiophen-2-yl)thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(5-formylthiophen-2-yl)thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(5-formylthiophen-2-yl)thiophen-2-yl]acetate is COC(=O)Cc1ccc(-c2ccc(C=O)s2)s1.
What is the InChIKey of methyl 2-[5-(5-formylthiophen-2-yl)thiophen-2-yl]acetate?
The InChIKey is OWZYPYPWDVNCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S2/c1-15-12(14)6-8-2-4-10(16-8)11-5-3-9(7-13)17-11/h2-5,7H,6H2,1H3.
What are the key properties of methyl 2-[5-(5-formylthiophen-2-yl)thiophen-2-yl]acetate?
methyl 2-[5-(5-formylthiophen-2-yl)thiophen-2-yl]acetate has a molecular weight of 266.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(5-formylthiophen-2-yl)thiophen-2-yl]acetate is sourced from PubChem (CID 10355578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).