5-bromo-4-methylthiophene-2-sulfonyl bromide

C5H4Br2O2S2 — CID 130493587

IUPAC5-bromo-4-methylthiophene-2-sulfonyl bromide
SMILESCc1cc(S(=O)(=O)Br)sc1Br
InChIInChI=1S/C5H4Br2O2S2/c1-3-2-4(10-5(3)6)11(7,8)9/h2H,1H3
InChIKeyIGJXXTLBOYWTMD-UHFFFAOYSA-N
MW320.03 g/mol
LogP2.90
Rot. Bonds1

About 5-bromo-4-methylthiophene-2-sulfonyl bromide

5-bromo-4-methylthiophene-2-sulfonyl bromide (PubChem CID 130493587) has the molecular formula C5H4Br2O2S2 and a molecular weight of 320.03 g/mol. Its IUPAC name is 5-bromo-4-methylthiophene-2-sulfonyl bromide.

Molecular Properties

Compound Name5-bromo-4-methylthiophene-2-sulfonyl bromide
PubChem CID130493587
Molecular FormulaC5H4Br2O2S2
Molecular Weight320.03 g/mol
Exact Mass317.80
IUPAC Name5-bromo-4-methylthiophene-2-sulfonyl bromide
SMILESCc1cc(S(=O)(=O)Br)sc1Br
InChIInChI=1S/C5H4Br2O2S2/c1-3-2-4(10-5(3)6)11(7,8)9/h2H,1H3
InChIKeyIGJXXTLBOYWTMD-UHFFFAOYSA-N
XLogP2.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.03
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70519707
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8-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 79989131
5-bromo-N-cyclopent-3-en-1-yl-4-methylthiophene-2-sulfonamide
CID 115695688
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CID 79934766
4-bromo-1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidine
CID 80672635
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-4,4-dimethylpiperidine
CID 79995171
5-bromo-N-(4-bromo-3,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 107575185
1-(5-bromo-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-one
CID 79995047
1-(5-bromo-4-methylthiophen-2-yl)sulfonyl-3,5-dimethylpiperazine
CID 79987539
N'-(5-bromo-4-methylthiophen-2-yl)sulfonylacetohydrazide
CID 79994957
5-bromo-N-[1-(bromomethyl)cyclopentyl]-4-methylthiophene-2-sulfonamide
CID 114297165

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methylthiophene-2-sulfonyl bromide?
The IUPAC name of 5-bromo-4-methylthiophene-2-sulfonyl bromide (CID 130493587) is 5-bromo-4-methylthiophene-2-sulfonyl bromide.
What is the SMILES notation for 5-bromo-4-methylthiophene-2-sulfonyl bromide?
The canonical SMILES for 5-bromo-4-methylthiophene-2-sulfonyl bromide is Cc1cc(S(=O)(=O)Br)sc1Br.
What is the InChIKey of 5-bromo-4-methylthiophene-2-sulfonyl bromide?
The InChIKey is IGJXXTLBOYWTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2O2S2/c1-3-2-4(10-5(3)6)11(7,8)9/h2H,1H3.
What are the key properties of 5-bromo-4-methylthiophene-2-sulfonyl bromide?
5-bromo-4-methylthiophene-2-sulfonyl bromide has a molecular weight of 320.03 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methylthiophene-2-sulfonyl bromide is sourced from PubChem (CID 130493587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).