methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate

C12H10O4S2 — CID 4072395

IUPACmethyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(C(=O)OC)s2)s1
InChIInChI=1S/C12H10O4S2/c1-15-11(13)9-5-3-7(17-9)8-4-6-10(18-8)12(14)16-2/h3-6H,1-2H3
InChIKeyGRBADUWTVCBNQA-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.05
Rot. Bonds3

About methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate

methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate (PubChem CID 4072395) has the molecular formula C12H10O4S2 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate
PubChem CID4072395
Molecular FormulaC12H10O4S2
Molecular Weight282.34 g/mol
Exact Mass282.00
IUPAC Namemethyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(C(=O)OC)s2)s1
InChIInChI=1S/C12H10O4S2/c1-15-11(13)9-5-3-7(17-9)8-4-6-10(18-8)12(14)16-2/h3-6H,1-2H3
InChIKeyGRBADUWTVCBNQA-UHFFFAOYSA-N
XLogP3.05
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate (CID 4072395) is methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate is COC(=O)c1ccc(-c2ccc(C(=O)OC)s2)s1.
What is the InChIKey of methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate?
The InChIKey is GRBADUWTVCBNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S2/c1-15-11(13)9-5-3-7(17-9)8-4-6-10(18-8)12(14)16-2/h3-6H,1-2H3.
What are the key properties of methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate?
methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(5-methoxycarbonylthiophen-2-yl)thiophene-2-carboxylate is sourced from PubChem (CID 4072395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).