Chemical Properties of Thiazole, 5-acetamido-2-(methylsulfonyl)-4-nitro- (CAS 116529-25-0)

InChI

InChI=1S/C6H7N3O5S2/c1-3(10)7-5-4(9(11)12)8-6(15-5)16(2,13)14/h1-2H3,(H,7,10)

InChI Key

JXRPQZUGBAJILT-UHFFFAOYSA-N

Formula

C6H7N3O5S2

SMILES

CC(=O)Nc1sc(S(C)(=O)=O)nc1[N+](=O)[O-]

Molecular Weight¹

265.27

CAS

116529-25-0

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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Similar Compounds

Find more compounds similar to Thiazole, 5-acetamido-2-(methylsulfonyl)-4-nitro-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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