methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate

C12H10O4S2 — CID 22305443

IUPACmethyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2csc(C(=O)OC)c2)cs1
InChIInChI=1S/C12H10O4S2/c1-15-11(13)9-3-7(5-17-9)8-4-10(18-6-8)12(14)16-2/h3-6H,1-2H3
InChIKeyKDVGIVHWQAVNLZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.05
Rot. Bonds3

About methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate

methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate (PubChem CID 22305443) has the molecular formula C12H10O4S2 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate
PubChem CID22305443
Molecular FormulaC12H10O4S2
Molecular Weight282.34 g/mol
Exact Mass282.00
IUPAC Namemethyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2csc(C(=O)OC)c2)cs1
InChIInChI=1S/C12H10O4S2/c1-15-11(13)9-3-7(5-17-9)8-4-10(18-6-8)12(14)16-2/h3-6H,1-2H3
InChIKeyKDVGIVHWQAVNLZ-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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Related Compounds

methyl 4-(3-chloro-5-hydroxyphenyl)thiophene-2-carboxylate
CID 53221429
methyl 4-(2-oxo-1H-pyridin-4-yl)thiophene-2-carboxylate
CID 53217994
methyl 4-(3-ethylphenyl)thiophene-2-carboxylate
CID 174626867
methyl 4-(5-fluoropyrimidin-2-yl)thiophene-2-carboxylate
CID 169144684
argon;methyl 4-bromothiophene-2-carboxylate
CID 146371918
(2S)-2-amino-2-[4-(5-methoxycarbonylthiophen-3-yl)phenyl]acetic acid
CID 66513184
5-(5-methoxycarbonylthiophen-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 53223876
ethane;methyl 4-ethylthiophene-2-carboxylate
CID 143588427
methyl 4-(4-methoxy-3-nitrophenyl)thiophene-2-carboxylate
CID 166086486
methyl 4-(2-oxo-1H-pyridin-3-yl)thiophene-2-carboxylate
CID 53217992
methyl 4-(5-chloro-1H-imidazol-4-yl)thiophene-2-carboxylate
CID 167222368
5-methoxycarbonylthiophene-3-diazonium
CID 15533896

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate (CID 22305443) is methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate is COC(=O)c1cc(-c2csc(C(=O)OC)c2)cs1.
What is the InChIKey of methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate?
The InChIKey is KDVGIVHWQAVNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4S2/c1-15-11(13)9-3-7(5-17-9)8-4-10(18-6-8)12(14)16-2/h3-6H,1-2H3.
What are the key properties of methyl 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate?
methyl 4-(5-methoxycarbonylthiophen-3-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 4-(5-methoxycarbonylthiophen-3-yl)thiophene-2-carboxylate is sourced from PubChem (CID 22305443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).