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

C5H6ClNO3S2 — CID 90273940

IUPAC2-ethoxy-1,3-thiazole-5-sulfonyl chloride
SMILESCCOc1ncc(S(=O)(=O)Cl)s1
InChIInChI=1S/C5H6ClNO3S2/c1-2-10-5-7-3-4(11-5)12(6,8)9/h3H,2H2,1H3
InChIKeyJANXCABBEBYHSR-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.47
Rot. Bonds3

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

2-ethoxy-1,3-thiazole-5-sulfonyl chloride (PubChem CID 90273940) has the molecular formula C5H6ClNO3S2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-ethoxy-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-ethoxy-1,3-thiazole-5-sulfonyl chloride
PubChem CID90273940
Molecular FormulaC5H6ClNO3S2
Molecular Weight227.69 g/mol
Exact Mass226.95
IUPAC Name2-ethoxy-1,3-thiazole-5-sulfonyl chloride
SMILESCCOc1ncc(S(=O)(=O)Cl)s1
InChIInChI=1S/C5H6ClNO3S2/c1-2-10-5-7-3-4(11-5)12(6,8)9/h3H,2H2,1H3
InChIKeyJANXCABBEBYHSR-UHFFFAOYSA-N
XLogP1.47
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 2-ethoxy-1,3-thiazole-5-sulfonyl chloride (CID 90273940) is 2-ethoxy-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 2-ethoxy-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 2-ethoxy-1,3-thiazole-5-sulfonyl chloride is CCOc1ncc(S(=O)(=O)Cl)s1.
What is the InChIKey of 2-ethoxy-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is JANXCABBEBYHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO3S2/c1-2-10-5-7-3-4(11-5)12(6,8)9/h3H,2H2,1H3.
What are the key properties of 2-ethoxy-1,3-thiazole-5-sulfonyl chloride?
2-ethoxy-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 227.69 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 90273940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).