Chemical Properties of Bentazone (CAS 25057-89-0)

InChI

InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3

InChI Key

ZOMSMJKLGFBRBS-UHFFFAOYSA-N

Formula

C10H12N2O3S

SMILES

CC(C)N1C(=O)c2ccccc2NS1(=O)=O

Molecular Weight¹

240.28

CAS

25057-89-0

Other Names

• 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-(1-methylethyl)-, 2,2-dioxide
• 1H-2,1,3-Benzothiadiazin-4(3H)-one, 3-isopropyl-, 2,2-dioxide
• 3-(1-Methylethyl)-1H-2,1,3-benzothia-diazin-4(3H)-one 2,2-dioxide
• 3-Isopropyl-1H-2,1,3-benzothiadiazin-4(3H)-one-2,2-dioxide
• 3-Isopropyl-2,1,3-benzothiadiazinon-(4)-2,2-dioxid
• 3-Isopropyl-4-oxo-2,1,3-benzothiadiazine 2,2-dioxide
• Adagio
• BAS 351-07H
• BAS 3510
• BAS 3510H
• BAS 3512H
• BAS 3517H
• BAS 351H
• Basagran
• Basagran 480
• Bendioxide
• Bentazon
• Leader
• Pentazone

• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-2.68		Aq. Sol...
logPoct/wat	1.208		Crippen Calculated Property
McVol	166.760	ml/mol	McGowan Calculated Property
Inp	[1926.00; 1926.00]
Inp	1926.00		NIST
Inp	1926.00		NIST
Tfus	412.81 ± 0.20	K	NIST

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to Bentazone.

Sources

• Crippen Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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