2-(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)ethanesulfonyl chloride

C5H7ClN2O3S2 — CID 125458179

IUPAC2-(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)ethanesulfonyl chloride
SMILESCc1nn(CCS(=O)(=O)Cl)c(=O)s1
InChIInChI=1S/C5H7ClN2O3S2/c1-4-7-8(5(9)12-4)2-3-13(6,10)11/h2-3H2,1H3
InChIKeyPSLKFDFLLIESTE-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.18
Rot. Bonds3

About 2-(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)ethanesulfonyl chloride

2-(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)ethanesulfonyl chloride (PubChem CID 125458179) has the molecular formula C5H7ClN2O3S2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)ethanesulfonyl chloride
PubChem CID125458179
Molecular FormulaC5H7ClN2O3S2
Molecular Weight242.71 g/mol
Exact Mass241.96
IUPAC Name2-(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)ethanesulfonyl chloride
SMILESCc1nn(CCS(=O)(=O)Cl)c(=O)s1
InChIInChI=1S/C5H7ClN2O3S2/c1-4-7-8(5(9)12-4)2-3-13(6,10)11/h2-3H2,1H3
InChIKeyPSLKFDFLLIESTE-UHFFFAOYSA-N
XLogP0.18
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)ethanesulfonyl chloride (CID 125458179) is 2-(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)ethanesulfonyl chloride is Cc1nn(CCS(=O)(=O)Cl)c(=O)s1.
What is the InChIKey of 2-(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)ethanesulfonyl chloride?
The InChIKey is PSLKFDFLLIESTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O3S2/c1-4-7-8(5(9)12-4)2-3-13(6,10)11/h2-3H2,1H3.
What are the key properties of 2-(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)ethanesulfonyl chloride?
2-(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)ethanesulfonyl chloride has a molecular weight of 242.71 g/mol, XLogP of 0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-oxo-1,3,4-thiadiazol-3-yl)ethanesulfonyl chloride is sourced from PubChem (CID 125458179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).