2-bromo-5-(1-bromo-2-methylsulfonylethyl)-3-methylthiophene

C8H10Br2O2S2 — CID 79991912

IUPAC2-bromo-5-(1-bromo-2-methylsulfonylethyl)-3-methylthiophene
SMILESCc1cc(C(Br)CS(C)(=O)=O)sc1Br
InChIInChI=1S/C8H10Br2O2S2/c1-5-3-7(13-8(5)10)6(9)4-14(2,11)12/h3,6H,4H2,1-2H3
InChIKeyHVEJVINDJMNZKL-UHFFFAOYSA-N
MW362.11 g/mol
LogP3.30
Rot. Bonds3

About 2-bromo-5-(1-bromo-2-methylsulfonylethyl)-3-methylthiophene

2-bromo-5-(1-bromo-2-methylsulfonylethyl)-3-methylthiophene (PubChem CID 79991912) has the molecular formula C8H10Br2O2S2 and a molecular weight of 362.11 g/mol. Its IUPAC name is 2-bromo-5-(1-bromo-2-methylsulfonylethyl)-3-methylthiophene.

Molecular Properties

Compound Name2-bromo-5-(1-bromo-2-methylsulfonylethyl)-3-methylthiophene
PubChem CID79991912
Molecular FormulaC8H10Br2O2S2
Molecular Weight362.11 g/mol
Exact Mass359.85
IUPAC Name2-bromo-5-(1-bromo-2-methylsulfonylethyl)-3-methylthiophene
SMILESCc1cc(C(Br)CS(C)(=O)=O)sc1Br
InChIInChI=1S/C8H10Br2O2S2/c1-5-3-7(13-8(5)10)6(9)4-14(2,11)12/h3,6H,4H2,1-2H3
InChIKeyHVEJVINDJMNZKL-UHFFFAOYSA-N
XLogP3.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.11
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-methylsulfonylethanamine
CID 79992082
2-bromo-5-(1-bromo-4-methylpentyl)-3-methylthiophene
CID 79991383
2-bromo-5-(1-bromo-4,4,4-trifluorobutyl)-3-methylthiophene
CID 79991805
[1-(5-bromo-4-methylthiophen-2-yl)-3-methylsulfonylpropyl]hydrazine
CID 114985173
2-bromo-5-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylthiophene
CID 79996862
5-[2-(1-adamantyl)-1-bromoethyl]-2-bromo-3-methylthiophene
CID 79989117
2,3-dibromo-5-[bromo-(5-bromo-4-methylthiophen-2-yl)methyl]thiophene
CID 80534570
1-(4-bromo-5-methylthiophen-2-yl)-2-methylsulfonylethanol
CID 102834626
(1S)-1-(4,5-dibromothiophen-2-yl)-2-methylsulfonylethanamine
CID 130055149
2-[2-bromo-2-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine
CID 79996962
2-bromo-5-[bromo-(3-chlorothiophen-2-yl)methyl]-3-methylthiophene
CID 80531860
(S)-(5-bromo-4-methylthiophen-2-yl)-diethoxyphosphorylmethanamine
CID 171191732

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-bromo-2-methylsulfonylethyl)-3-methylthiophene?
The IUPAC name of 2-bromo-5-(1-bromo-2-methylsulfonylethyl)-3-methylthiophene (CID 79991912) is 2-bromo-5-(1-bromo-2-methylsulfonylethyl)-3-methylthiophene.
What is the SMILES notation for 2-bromo-5-(1-bromo-2-methylsulfonylethyl)-3-methylthiophene?
The canonical SMILES for 2-bromo-5-(1-bromo-2-methylsulfonylethyl)-3-methylthiophene is Cc1cc(C(Br)CS(C)(=O)=O)sc1Br.
What is the InChIKey of 2-bromo-5-(1-bromo-2-methylsulfonylethyl)-3-methylthiophene?
The InChIKey is HVEJVINDJMNZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2O2S2/c1-5-3-7(13-8(5)10)6(9)4-14(2,11)12/h3,6H,4H2,1-2H3.
What are the key properties of 2-bromo-5-(1-bromo-2-methylsulfonylethyl)-3-methylthiophene?
2-bromo-5-(1-bromo-2-methylsulfonylethyl)-3-methylthiophene has a molecular weight of 362.11 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-bromo-2-methylsulfonylethyl)-3-methylthiophene is sourced from PubChem (CID 79991912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).