methyl 4-bromo-5-thiophen-2-ylthiophene-2-carboxylate

C10H7BrO2S2 — CID 165446793

IUPACmethyl 4-bromo-5-thiophen-2-ylthiophene-2-carboxylate
SMILESCOC(=O)c1cc(Br)c(-c2cccs2)s1
InChIInChI=1S/C10H7BrO2S2/c1-13-10(12)8-5-6(11)9(15-8)7-3-2-4-14-7/h2-5H,1H3
InChIKeyFUVRZYAZEOYHNS-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.03
Rot. Bonds2

About methyl 4-bromo-5-thiophen-2-ylthiophene-2-carboxylate

methyl 4-bromo-5-thiophen-2-ylthiophene-2-carboxylate (PubChem CID 165446793) has the molecular formula C10H7BrO2S2 and a molecular weight of 303.20 g/mol. Its IUPAC name is methyl 4-bromo-5-thiophen-2-ylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-bromo-5-thiophen-2-ylthiophene-2-carboxylate
PubChem CID165446793
Molecular FormulaC10H7BrO2S2
Molecular Weight303.20 g/mol
Exact Mass301.91
IUPAC Namemethyl 4-bromo-5-thiophen-2-ylthiophene-2-carboxylate
SMILESCOC(=O)c1cc(Br)c(-c2cccs2)s1
InChIInChI=1S/C10H7BrO2S2/c1-13-10(12)8-5-6(11)9(15-8)7-3-2-4-14-7/h2-5H,1H3
InChIKeyFUVRZYAZEOYHNS-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-bromo-5-pyridin-3-ylthiophene-2-carboxylate
CID 165446791
dimethyl 5-thiophen-2-ylbenzene-1,3-dicarboxylate
CID 5323903
methyl 3-bromothieno[2,3-b]thiophene-5-carboxylate
CID 133061638
methyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride
CID 172915979
methyl 4-bromo-5-(1-methylpyrazol-4-yl)thiophene-2-carboxylate
CID 165446790
methyl 2-[4-(2-methoxy-2-oxoethyl)-2,5-dithiophen-2-ylthiophen-3-yl]acetate
CID 15422593
dimethyl 3,4-dithiophen-2-yl-1H-pyrrole-2,5-dicarboxylate
CID 102258239
methyl 3-(2,5-dioxopyrrol-1-yl)-5-thiophen-2-ylthiophene-2-carboxylate
CID 2809916
methyl 2-thiophen-2-ylquinoline-3-carboxylate
CID 132558070
methyl 4-hydroxy-2-methyl-1,1-dioxo-6-thiophen-2-ylthieno[2,3-e]thiazine-3-carboxylate
CID 54719486
methyl 5-(2-bromophenyl)thiophene-2-carboxylate
CID 117222348
methyl 2-hydroxy-6-thiophen-2-ylbenzoate
CID 15679686

Frequently Asked Questions

What is the IUPAC name of methyl 4-bromo-5-thiophen-2-ylthiophene-2-carboxylate?
The IUPAC name of methyl 4-bromo-5-thiophen-2-ylthiophene-2-carboxylate (CID 165446793) is methyl 4-bromo-5-thiophen-2-ylthiophene-2-carboxylate.
What is the SMILES notation for methyl 4-bromo-5-thiophen-2-ylthiophene-2-carboxylate?
The canonical SMILES for methyl 4-bromo-5-thiophen-2-ylthiophene-2-carboxylate is COC(=O)c1cc(Br)c(-c2cccs2)s1.
What is the InChIKey of methyl 4-bromo-5-thiophen-2-ylthiophene-2-carboxylate?
The InChIKey is FUVRZYAZEOYHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO2S2/c1-13-10(12)8-5-6(11)9(15-8)7-3-2-4-14-7/h2-5H,1H3.
What are the key properties of methyl 4-bromo-5-thiophen-2-ylthiophene-2-carboxylate?
methyl 4-bromo-5-thiophen-2-ylthiophene-2-carboxylate has a molecular weight of 303.20 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-bromo-5-thiophen-2-ylthiophene-2-carboxylate is sourced from PubChem (CID 165446793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).