5-bromo-3-methylthiophene-2-sulfonyl chloride

C5H4BrClO2S2 — CID 71695376

IUPAC5-bromo-3-methylthiophene-2-sulfonyl chloride
SMILESCc1cc(Br)sc1S(=O)(=O)Cl
InChIInChI=1S/C5H4BrClO2S2/c1-3-2-4(6)10-5(3)11(7,8)9/h2H,1H3
InChIKeyMGIVCIQNHQLTNC-UHFFFAOYSA-N
MW275.58 g/mol
LogP2.75
Rot. Bonds1

About 5-bromo-3-methylthiophene-2-sulfonyl chloride

5-bromo-3-methylthiophene-2-sulfonyl chloride (PubChem CID 71695376) has the molecular formula C5H4BrClO2S2 and a molecular weight of 275.58 g/mol. Its IUPAC name is 5-bromo-3-methylthiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-bromo-3-methylthiophene-2-sulfonyl chloride
PubChem CID71695376
Molecular FormulaC5H4BrClO2S2
Molecular Weight275.58 g/mol
Exact Mass273.85
IUPAC Name5-bromo-3-methylthiophene-2-sulfonyl chloride
SMILESCc1cc(Br)sc1S(=O)(=O)Cl
InChIInChI=1S/C5H4BrClO2S2/c1-3-2-4(6)10-5(3)11(7,8)9/h2H,1H3
InChIKeyMGIVCIQNHQLTNC-UHFFFAOYSA-N
XLogP2.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.58
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methylthiophene-2-sulfonyl chloride?
The IUPAC name of 5-bromo-3-methylthiophene-2-sulfonyl chloride (CID 71695376) is 5-bromo-3-methylthiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-bromo-3-methylthiophene-2-sulfonyl chloride?
The canonical SMILES for 5-bromo-3-methylthiophene-2-sulfonyl chloride is Cc1cc(Br)sc1S(=O)(=O)Cl.
What is the InChIKey of 5-bromo-3-methylthiophene-2-sulfonyl chloride?
The InChIKey is MGIVCIQNHQLTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClO2S2/c1-3-2-4(6)10-5(3)11(7,8)9/h2H,1H3.
What are the key properties of 5-bromo-3-methylthiophene-2-sulfonyl chloride?
5-bromo-3-methylthiophene-2-sulfonyl chloride has a molecular weight of 275.58 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methylthiophene-2-sulfonyl chloride is sourced from PubChem (CID 71695376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).