methyl 3-bromothieno[2,3-b]thiophene-5-carboxylate

C8H5BrO2S2 — CID 133061638

IUPACmethyl 3-bromothieno[2,3-b]thiophene-5-carboxylate
SMILESCOC(=O)c1cc2c(Br)csc2s1
InChIInChI=1S/C8H5BrO2S2/c1-11-7(10)6-2-4-5(9)3-12-8(4)13-6/h2-3H,1H3
InChIKeyAEKHKEVGGFCTEZ-UHFFFAOYSA-N
MW277.16 g/mol
LogP3.51
Rot. Bonds1

About methyl 3-bromothieno[2,3-b]thiophene-5-carboxylate

methyl 3-bromothieno[2,3-b]thiophene-5-carboxylate (PubChem CID 133061638) has the molecular formula C8H5BrO2S2 and a molecular weight of 277.16 g/mol. Its IUPAC name is methyl 3-bromothieno[2,3-b]thiophene-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromothieno[2,3-b]thiophene-5-carboxylate
PubChem CID133061638
Molecular FormulaC8H5BrO2S2
Molecular Weight277.16 g/mol
Exact Mass275.89
IUPAC Namemethyl 3-bromothieno[2,3-b]thiophene-5-carboxylate
SMILESCOC(=O)c1cc2c(Br)csc2s1
InChIInChI=1S/C8H5BrO2S2/c1-11-7(10)6-2-4-5(9)3-12-8(4)13-6/h2-3H,1H3
InChIKeyAEKHKEVGGFCTEZ-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4,6-dibromoselenopheno[3,4-b]thiophene-2-carboxylate
CID 70874095
argon;methyl 4-bromothiophene-2-carboxylate
CID 146371918
methyl 5-amino-4-bromothiophene-2-carboxylate;hydrochloride
CID 172915979
methyl 4-bromo-5-thiophen-2-ylthiophene-2-carboxylate
CID 165446793
tert-butyl 3-hydroxythieno[2,3-b]thiophene-5-carboxylate
CID 133061132
methyl 7-bromo-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboxylate
CID 154671471
methyl 4-bromo-7-(trifluoromethyl)-1-benzothiophene-2-carboxylate
CID 169496676
methyl 4-bromo-7-chlorothieno[2,3-c]pyridine-2-carboxylate
CID 58622488
methyl 5-sulfamoylthieno[2,3-b]thiophene-2-carboxylate
CID 14700202
ethyl 3-carbamoylthieno[2,3-b]thiophene-5-carboxylate
CID 133062404
methyl 6-bromo-7-methoxy-1-benzothiophene-2-carboxylate
CID 121413713
3-propan-2-yloxycarbonylthieno[2,3-b]thiophene-5-carboxylic acid
CID 133060983

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromothieno[2,3-b]thiophene-5-carboxylate?
The IUPAC name of methyl 3-bromothieno[2,3-b]thiophene-5-carboxylate (CID 133061638) is methyl 3-bromothieno[2,3-b]thiophene-5-carboxylate.
What is the SMILES notation for methyl 3-bromothieno[2,3-b]thiophene-5-carboxylate?
The canonical SMILES for methyl 3-bromothieno[2,3-b]thiophene-5-carboxylate is COC(=O)c1cc2c(Br)csc2s1.
What is the InChIKey of methyl 3-bromothieno[2,3-b]thiophene-5-carboxylate?
The InChIKey is AEKHKEVGGFCTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrO2S2/c1-11-7(10)6-2-4-5(9)3-12-8(4)13-6/h2-3H,1H3.
What are the key properties of methyl 3-bromothieno[2,3-b]thiophene-5-carboxylate?
methyl 3-bromothieno[2,3-b]thiophene-5-carboxylate has a molecular weight of 277.16 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromothieno[2,3-b]thiophene-5-carboxylate is sourced from PubChem (CID 133061638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).