methyl 3-bromo-6-methylthieno[3,2-b]thiophene-5-carboxylate

C9H7BrO2S2 — CID 146049984

IUPACmethyl 3-bromo-6-methylthieno[3,2-b]thiophene-5-carboxylate
SMILESCOC(=O)c1sc2c(Br)csc2c1C
InChIInChI=1S/C9H7BrO2S2/c1-4-6-8(5(10)3-13-6)14-7(4)9(11)12-2/h3H,1-2H3
InChIKeyQXNDDGQIDKHOFJ-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.82
Rot. Bonds1

About methyl 3-bromo-6-methylthieno[3,2-b]thiophene-5-carboxylate

methyl 3-bromo-6-methylthieno[3,2-b]thiophene-5-carboxylate (PubChem CID 146049984) has the molecular formula C9H7BrO2S2 and a molecular weight of 291.19 g/mol. Its IUPAC name is methyl 3-bromo-6-methylthieno[3,2-b]thiophene-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-6-methylthieno[3,2-b]thiophene-5-carboxylate
PubChem CID146049984
Molecular FormulaC9H7BrO2S2
Molecular Weight291.19 g/mol
Exact Mass289.91
IUPAC Namemethyl 3-bromo-6-methylthieno[3,2-b]thiophene-5-carboxylate
SMILESCOC(=O)c1sc2c(Br)csc2c1C
InChIInChI=1S/C9H7BrO2S2/c1-4-6-8(5(10)3-13-6)14-7(4)9(11)12-2/h3H,1-2H3
InChIKeyQXNDDGQIDKHOFJ-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-6-methylthieno[3,2-b]thiophene-5-carboxylate?
The IUPAC name of methyl 3-bromo-6-methylthieno[3,2-b]thiophene-5-carboxylate (CID 146049984) is methyl 3-bromo-6-methylthieno[3,2-b]thiophene-5-carboxylate.
What is the SMILES notation for methyl 3-bromo-6-methylthieno[3,2-b]thiophene-5-carboxylate?
The canonical SMILES for methyl 3-bromo-6-methylthieno[3,2-b]thiophene-5-carboxylate is COC(=O)c1sc2c(Br)csc2c1C.
What is the InChIKey of methyl 3-bromo-6-methylthieno[3,2-b]thiophene-5-carboxylate?
The InChIKey is QXNDDGQIDKHOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2S2/c1-4-6-8(5(10)3-13-6)14-7(4)9(11)12-2/h3H,1-2H3.
What are the key properties of methyl 3-bromo-6-methylthieno[3,2-b]thiophene-5-carboxylate?
methyl 3-bromo-6-methylthieno[3,2-b]thiophene-5-carboxylate has a molecular weight of 291.19 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-6-methylthieno[3,2-b]thiophene-5-carboxylate is sourced from PubChem (CID 146049984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).