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

C7H10ClNO3S2 — CID 118164787

IUPAC5-ethoxy-2-ethyl-1,3-thiazole-4-sulfonyl chloride
SMILESCCOc1sc(CC)nc1S(=O)(=O)Cl
InChIInChI=1S/C7H10ClNO3S2/c1-3-5-9-6(14(8,10)11)7(13-5)12-4-2/h3-4H2,1-2H3
InChIKeyMEYMXHJKUYYLIH-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.03
Rot. Bonds4

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

5-ethoxy-2-ethyl-1,3-thiazole-4-sulfonyl chloride (PubChem CID 118164787) has the molecular formula C7H10ClNO3S2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-ethoxy-2-ethyl-1,3-thiazole-4-sulfonyl chloride.

Molecular Properties

Compound Name5-ethoxy-2-ethyl-1,3-thiazole-4-sulfonyl chloride
PubChem CID118164787
Molecular FormulaC7H10ClNO3S2
Molecular Weight255.75 g/mol
Exact Mass254.98
IUPAC Name5-ethoxy-2-ethyl-1,3-thiazole-4-sulfonyl chloride
SMILESCCOc1sc(CC)nc1S(=O)(=O)Cl
InChIInChI=1S/C7H10ClNO3S2/c1-3-5-9-6(14(8,10)11)7(13-5)12-4-2/h3-4H2,1-2H3
InChIKeyMEYMXHJKUYYLIH-UHFFFAOYSA-N
XLogP2.03
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-ethyl-1,3-thiazole-4-sulfonyl chloride?
The IUPAC name of 5-ethoxy-2-ethyl-1,3-thiazole-4-sulfonyl chloride (CID 118164787) is 5-ethoxy-2-ethyl-1,3-thiazole-4-sulfonyl chloride.
What is the SMILES notation for 5-ethoxy-2-ethyl-1,3-thiazole-4-sulfonyl chloride?
The canonical SMILES for 5-ethoxy-2-ethyl-1,3-thiazole-4-sulfonyl chloride is CCOc1sc(CC)nc1S(=O)(=O)Cl.
What is the InChIKey of 5-ethoxy-2-ethyl-1,3-thiazole-4-sulfonyl chloride?
The InChIKey is MEYMXHJKUYYLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO3S2/c1-3-5-9-6(14(8,10)11)7(13-5)12-4-2/h3-4H2,1-2H3.
What are the key properties of 5-ethoxy-2-ethyl-1,3-thiazole-4-sulfonyl chloride?
5-ethoxy-2-ethyl-1,3-thiazole-4-sulfonyl chloride has a molecular weight of 255.75 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-ethyl-1,3-thiazole-4-sulfonyl chloride is sourced from PubChem (CID 118164787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).