2,3-dibromo-4,5-dimethoxythiophene

C6H6Br2O2S — CID 178076239

IUPAC2,3-dibromo-4,5-dimethoxythiophene
SMILESCOc1sc(Br)c(Br)c1OC
InChIInChI=1S/C6H6Br2O2S/c1-9-4-3(7)5(8)11-6(4)10-2/h1-2H3
InChIKeyYSWDNHJYXSCISR-UHFFFAOYSA-N
MW301.99 g/mol
LogP3.29
Rot. Bonds2

About 2,3-dibromo-4,5-dimethoxythiophene

2,3-dibromo-4,5-dimethoxythiophene (PubChem CID 178076239) has the molecular formula C6H6Br2O2S and a molecular weight of 301.99 g/mol. Its IUPAC name is 2,3-dibromo-4,5-dimethoxythiophene.

Molecular Properties

Compound Name2,3-dibromo-4,5-dimethoxythiophene
PubChem CID178076239
Molecular FormulaC6H6Br2O2S
Molecular Weight301.99 g/mol
Exact Mass299.85
IUPAC Name2,3-dibromo-4,5-dimethoxythiophene
SMILESCOc1sc(Br)c(Br)c1OC
InChIInChI=1S/C6H6Br2O2S/c1-9-4-3(7)5(8)11-6(4)10-2/h1-2H3
InChIKeyYSWDNHJYXSCISR-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.99
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-trimethoxythiophen-2-amine
CID 98774107
4-bromo-3,5-dimethoxythiophene-2-carboxylate
CID 138106546
2,3,5-trimethoxy-4-[(2,4,5-trimethoxythiophen-3-yl)disulfanyl]thiophene
CID 139909565
3-bromo-2,5-dimethoxy-1-benzothiophene
CID 130866034
1-bromo-2,3,5,6-tetrachloro-4-methoxybenzene
CID 91748514
4,6,10,12,16,18,22,24-octabromo-5,11,17,23,25,26,27,28-octamethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
CID 15866168
1,3,6,8-tetrabromo-2,7-dimethoxypyrene
CID 170567167
CID 166155160
CID 166155160
3-bromo-7-ethyl-2-methoxy-1-benzothiophene
CID 130785943
7-bromo-2-methoxy-3-methylsulfanyl-1-benzothiophene
CID 130985434
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
2,3,7,8,12,13,17,18-octamethoxy-5,10,15,28-tetrathianonacyclo[17.8.1.04,26.06,25.09,24.011,23.014,22.016,21.020,27]octacosa-1,3,6,8,11,13,16,18,20,22,24,26-dodecaene
CID 135031647

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-4,5-dimethoxythiophene?
The IUPAC name of 2,3-dibromo-4,5-dimethoxythiophene (CID 178076239) is 2,3-dibromo-4,5-dimethoxythiophene.
What is the SMILES notation for 2,3-dibromo-4,5-dimethoxythiophene?
The canonical SMILES for 2,3-dibromo-4,5-dimethoxythiophene is COc1sc(Br)c(Br)c1OC.
What is the InChIKey of 2,3-dibromo-4,5-dimethoxythiophene?
The InChIKey is YSWDNHJYXSCISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2O2S/c1-9-4-3(7)5(8)11-6(4)10-2/h1-2H3.
What are the key properties of 2,3-dibromo-4,5-dimethoxythiophene?
2,3-dibromo-4,5-dimethoxythiophene has a molecular weight of 301.99 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-4,5-dimethoxythiophene is sourced from PubChem (CID 178076239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).