2-(4-chloro-5-methylthiophen-2-yl)ethanesulfonyl chloride

C7H8Cl2O2S2 — CID 84806132

IUPAC2-(4-chloro-5-methylthiophen-2-yl)ethanesulfonyl chloride
SMILESCc1sc(CCS(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C7H8Cl2O2S2/c1-5-7(8)4-6(12-5)2-3-13(9,10)11/h4H,2-3H2,1H3
InChIKeyJFAZPURZPQZQGH-UHFFFAOYSA-N
MW259.18 g/mol
LogP2.82
Rot. Bonds3

About 2-(4-chloro-5-methylthiophen-2-yl)ethanesulfonyl chloride

2-(4-chloro-5-methylthiophen-2-yl)ethanesulfonyl chloride (PubChem CID 84806132) has the molecular formula C7H8Cl2O2S2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 2-(4-chloro-5-methylthiophen-2-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(4-chloro-5-methylthiophen-2-yl)ethanesulfonyl chloride
PubChem CID84806132
Molecular FormulaC7H8Cl2O2S2
Molecular Weight259.18 g/mol
Exact Mass257.93
IUPAC Name2-(4-chloro-5-methylthiophen-2-yl)ethanesulfonyl chloride
SMILESCc1sc(CCS(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C7H8Cl2O2S2/c1-5-7(8)4-6(12-5)2-3-13(9,10)11/h4H,2-3H2,1H3
InChIKeyJFAZPURZPQZQGH-UHFFFAOYSA-N
XLogP2.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylthiophen-2-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(4-chloro-5-methylthiophen-2-yl)ethanesulfonyl chloride (CID 84806132) is 2-(4-chloro-5-methylthiophen-2-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(4-chloro-5-methylthiophen-2-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(4-chloro-5-methylthiophen-2-yl)ethanesulfonyl chloride is Cc1sc(CCS(=O)(=O)Cl)cc1Cl.
What is the InChIKey of 2-(4-chloro-5-methylthiophen-2-yl)ethanesulfonyl chloride?
The InChIKey is JFAZPURZPQZQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2O2S2/c1-5-7(8)4-6(12-5)2-3-13(9,10)11/h4H,2-3H2,1H3.
What are the key properties of 2-(4-chloro-5-methylthiophen-2-yl)ethanesulfonyl chloride?
2-(4-chloro-5-methylthiophen-2-yl)ethanesulfonyl chloride has a molecular weight of 259.18 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methylthiophen-2-yl)ethanesulfonyl chloride is sourced from PubChem (CID 84806132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).