4-methylthiophene-3-sulfonyl chloride

C5H5ClO2S2 — CID 23261674

IUPAC4-methylthiophene-3-sulfonyl chloride
SMILESCc1cscc1S(=O)(=O)Cl
InChIInChI=1S/C5H5ClO2S2/c1-4-2-9-3-5(4)10(6,7)8/h2-3H,1H3
InChIKeyMRPVZLLLSNFAEA-UHFFFAOYSA-N
MW196.68 g/mol
LogP1.98
Rot. Bonds1

About 4-methylthiophene-3-sulfonyl chloride

4-methylthiophene-3-sulfonyl chloride (PubChem CID 23261674) has the molecular formula C5H5ClO2S2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 4-methylthiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name4-methylthiophene-3-sulfonyl chloride
PubChem CID23261674
Molecular FormulaC5H5ClO2S2
Molecular Weight196.68 g/mol
Exact Mass195.94
IUPAC Name4-methylthiophene-3-sulfonyl chloride
SMILESCc1cscc1S(=O)(=O)Cl
InChIInChI=1S/C5H5ClO2S2/c1-4-2-9-3-5(4)10(6,7)8/h2-3H,1H3
InChIKeyMRPVZLLLSNFAEA-UHFFFAOYSA-N
XLogP1.98
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylthiophene-3-sulfonyl chloride?
The IUPAC name of 4-methylthiophene-3-sulfonyl chloride (CID 23261674) is 4-methylthiophene-3-sulfonyl chloride.
What is the SMILES notation for 4-methylthiophene-3-sulfonyl chloride?
The canonical SMILES for 4-methylthiophene-3-sulfonyl chloride is Cc1cscc1S(=O)(=O)Cl.
What is the InChIKey of 4-methylthiophene-3-sulfonyl chloride?
The InChIKey is MRPVZLLLSNFAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClO2S2/c1-4-2-9-3-5(4)10(6,7)8/h2-3H,1H3.
What are the key properties of 4-methylthiophene-3-sulfonyl chloride?
4-methylthiophene-3-sulfonyl chloride has a molecular weight of 196.68 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylthiophene-3-sulfonyl chloride is sourced from PubChem (CID 23261674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).