2-bromo-3-ethoxy-4-methylthiophene

C7H9BrOS — CID 141403641

IUPAC2-bromo-3-ethoxy-4-methylthiophene
SMILESCCOc1c(C)csc1Br
InChIInChI=1S/C7H9BrOS/c1-3-9-6-5(2)4-10-7(6)8/h4H,3H2,1-2H3
InChIKeyQLGAMWAVIYRJTC-UHFFFAOYSA-N
MW221.12 g/mol
LogP3.22
Rot. Bonds2

About 2-bromo-3-ethoxy-4-methylthiophene

2-bromo-3-ethoxy-4-methylthiophene (PubChem CID 141403641) has the molecular formula C7H9BrOS and a molecular weight of 221.12 g/mol. Its IUPAC name is 2-bromo-3-ethoxy-4-methylthiophene.

Molecular Properties

Compound Name2-bromo-3-ethoxy-4-methylthiophene
PubChem CID141403641
Molecular FormulaC7H9BrOS
Molecular Weight221.12 g/mol
Exact Mass219.96
IUPAC Name2-bromo-3-ethoxy-4-methylthiophene
SMILESCCOc1c(C)csc1Br
InChIInChI=1S/C7H9BrOS/c1-3-9-6-5(2)4-10-7(6)8/h4H,3H2,1-2H3
InChIKeyQLGAMWAVIYRJTC-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-ethoxy-2,3,5-trimethylbenzene
CID 143804486
6-ethoxy-3-methyl-1-benzothiophen-7-ol
CID 130826703
2-bromo-4-methylthiophen-3-amine
CID 82403065
ethane;2-ethoxy-1,3-dimethylbenzene
CID 91163284
4-ethoxy-3-methyl-1-benzothiophene-7-thiol
CID 130840116
1,2,3,4,5-pentaethoxy-6-methylbenzene
CID 173439159
2-bromo-4-chloro-3-ethoxy-1-benzothiophene
CID 131034318
5-bromo-2-(ethoxymethoxy)-1,3-dimethylbenzene
CID 67625955
3-bromo-2-ethoxybenzenethiol
CID 91874337
2-bromo-5-methylthieno[2,3-d]pyrimidine
CID 87308839
3-ethoxy-2,4-dimethyl-1-benzothiophene
CID 131169695
ethyl 3-methoxy-4-methylthiophene-2-carboxylate
CID 70658420

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-ethoxy-4-methylthiophene?
The IUPAC name of 2-bromo-3-ethoxy-4-methylthiophene (CID 141403641) is 2-bromo-3-ethoxy-4-methylthiophene.
What is the SMILES notation for 2-bromo-3-ethoxy-4-methylthiophene?
The canonical SMILES for 2-bromo-3-ethoxy-4-methylthiophene is CCOc1c(C)csc1Br.
What is the InChIKey of 2-bromo-3-ethoxy-4-methylthiophene?
The InChIKey is QLGAMWAVIYRJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrOS/c1-3-9-6-5(2)4-10-7(6)8/h4H,3H2,1-2H3.
What are the key properties of 2-bromo-3-ethoxy-4-methylthiophene?
2-bromo-3-ethoxy-4-methylthiophene has a molecular weight of 221.12 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-ethoxy-4-methylthiophene is sourced from PubChem (CID 141403641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).