3-ethylthiophene-2-sulfonyl chloride

C6H7ClO2S2 — CID 55280410

IUPAC3-ethylthiophene-2-sulfonyl chloride
SMILESCCc1ccsc1S(=O)(=O)Cl
InChIInChI=1S/C6H7ClO2S2/c1-2-5-3-4-10-6(5)11(7,8)9/h3-4H,2H2,1H3
InChIKeyMBVBSGKRWUHRPC-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.24
Rot. Bonds2

About 3-ethylthiophene-2-sulfonyl chloride

3-ethylthiophene-2-sulfonyl chloride (PubChem CID 55280410) has the molecular formula C6H7ClO2S2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 3-ethylthiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-ethylthiophene-2-sulfonyl chloride
PubChem CID55280410
Molecular FormulaC6H7ClO2S2
Molecular Weight210.71 g/mol
Exact Mass209.96
IUPAC Name3-ethylthiophene-2-sulfonyl chloride
SMILESCCc1ccsc1S(=O)(=O)Cl
InChIInChI=1S/C6H7ClO2S2/c1-2-5-3-4-10-6(5)11(7,8)9/h3-4H,2H2,1H3
InChIKeyMBVBSGKRWUHRPC-UHFFFAOYSA-N
XLogP2.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethylthiophene-2-sulfonyl chloride?
The IUPAC name of 3-ethylthiophene-2-sulfonyl chloride (CID 55280410) is 3-ethylthiophene-2-sulfonyl chloride.
What is the SMILES notation for 3-ethylthiophene-2-sulfonyl chloride?
The canonical SMILES for 3-ethylthiophene-2-sulfonyl chloride is CCc1ccsc1S(=O)(=O)Cl.
What is the InChIKey of 3-ethylthiophene-2-sulfonyl chloride?
The InChIKey is MBVBSGKRWUHRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClO2S2/c1-2-5-3-4-10-6(5)11(7,8)9/h3-4H,2H2,1H3.
What are the key properties of 3-ethylthiophene-2-sulfonyl chloride?
3-ethylthiophene-2-sulfonyl chloride has a molecular weight of 210.71 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylthiophene-2-sulfonyl chloride is sourced from PubChem (CID 55280410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).