5-ethoxy-2-methyl-1,3-thiazole-4-sulfonyl chloride

C6H8ClNO3S2 — CID 71324574

IUPAC5-ethoxy-2-methyl-1,3-thiazole-4-sulfonyl chloride
SMILESCCOc1sc(C)nc1S(=O)(=O)Cl
InChIInChI=1S/C6H8ClNO3S2/c1-3-11-6-5(13(7,9)10)8-4(2)12-6/h3H2,1-2H3
InChIKeyLRUOTUHZPGOBAB-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.78
Rot. Bonds3

About 5-ethoxy-2-methyl-1,3-thiazole-4-sulfonyl chloride

5-ethoxy-2-methyl-1,3-thiazole-4-sulfonyl chloride (PubChem CID 71324574) has the molecular formula C6H8ClNO3S2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-ethoxy-2-methyl-1,3-thiazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-ethoxy-2-methyl-1,3-thiazole-4-sulfonyl chloride
PubChem CID71324574
Molecular FormulaC6H8ClNO3S2
Molecular Weight241.72 g/mol
Exact Mass240.96
IUPAC Name5-ethoxy-2-methyl-1,3-thiazole-4-sulfonyl chloride
SMILESCCOc1sc(C)nc1S(=O)(=O)Cl
InChIInChI=1S/C6H8ClNO3S2/c1-3-11-6-5(13(7,9)10)8-4(2)12-6/h3H2,1-2H3
InChIKeyLRUOTUHZPGOBAB-UHFFFAOYSA-N
XLogP1.78
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-methyl-1,3-thiazole-4-sulfonyl chloride?
The IUPAC name of 5-ethoxy-2-methyl-1,3-thiazole-4-sulfonyl chloride (CID 71324574) is 5-ethoxy-2-methyl-1,3-thiazole-4-sulfonyl chloride.
What is the SMILES notation for 5-ethoxy-2-methyl-1,3-thiazole-4-sulfonyl chloride?
The canonical SMILES for 5-ethoxy-2-methyl-1,3-thiazole-4-sulfonyl chloride is CCOc1sc(C)nc1S(=O)(=O)Cl.
What is the InChIKey of 5-ethoxy-2-methyl-1,3-thiazole-4-sulfonyl chloride?
The InChIKey is LRUOTUHZPGOBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO3S2/c1-3-11-6-5(13(7,9)10)8-4(2)12-6/h3H2,1-2H3.
What are the key properties of 5-ethoxy-2-methyl-1,3-thiazole-4-sulfonyl chloride?
5-ethoxy-2-methyl-1,3-thiazole-4-sulfonyl chloride has a molecular weight of 241.72 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-methyl-1,3-thiazole-4-sulfonyl chloride is sourced from PubChem (CID 71324574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).