2-thiophen-2-ylpropane-1-sulfonyl chloride

C7H9ClO2S2 — CID 83642993

IUPAC2-thiophen-2-ylpropane-1-sulfonyl chloride
SMILESCC(CS(=O)(=O)Cl)c1cccs1
InChIInChI=1S/C7H9ClO2S2/c1-6(5-12(8,9)10)7-3-2-4-11-7/h2-4,6H,5H2,1H3
InChIKeyNBAKMDBLFUPIMN-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.42
Rot. Bonds3

About 2-thiophen-2-ylpropane-1-sulfonyl chloride

2-thiophen-2-ylpropane-1-sulfonyl chloride (PubChem CID 83642993) has the molecular formula C7H9ClO2S2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-thiophen-2-ylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-thiophen-2-ylpropane-1-sulfonyl chloride
PubChem CID83642993
Molecular FormulaC7H9ClO2S2
Molecular Weight224.73 g/mol
Exact Mass223.97
IUPAC Name2-thiophen-2-ylpropane-1-sulfonyl chloride
SMILESCC(CS(=O)(=O)Cl)c1cccs1
InChIInChI=1S/C7H9ClO2S2/c1-6(5-12(8,9)10)7-3-2-4-11-7/h2-4,6H,5H2,1H3
InChIKeyNBAKMDBLFUPIMN-UHFFFAOYSA-N
XLogP2.42
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylpropane-1-sulfonyl chloride?
The IUPAC name of 2-thiophen-2-ylpropane-1-sulfonyl chloride (CID 83642993) is 2-thiophen-2-ylpropane-1-sulfonyl chloride.
What is the SMILES notation for 2-thiophen-2-ylpropane-1-sulfonyl chloride?
The canonical SMILES for 2-thiophen-2-ylpropane-1-sulfonyl chloride is CC(CS(=O)(=O)Cl)c1cccs1.
What is the InChIKey of 2-thiophen-2-ylpropane-1-sulfonyl chloride?
The InChIKey is NBAKMDBLFUPIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClO2S2/c1-6(5-12(8,9)10)7-3-2-4-11-7/h2-4,6H,5H2,1H3.
What are the key properties of 2-thiophen-2-ylpropane-1-sulfonyl chloride?
2-thiophen-2-ylpropane-1-sulfonyl chloride has a molecular weight of 224.73 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylpropane-1-sulfonyl chloride is sourced from PubChem (CID 83642993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).