Chemical Properties of 1,2,4-Triazin-5(4H)-one, 6-(1,1-dimethylethyl)-4-[(2-methylpropylidene)amino]-3-(methylthio)- (CAS 57052-04-7)

InChI

InChI=1S/C12H20N4OS/c1-8(2)7-13-16-10(17)9(12(3,4)5)14-15-11(16)18-6/h7-8H,1-6H3

InChI Key

MZTLOILRKLUURT-UHFFFAOYSA-N

Formula

C12H20N4OS

SMILES

CSc1nnc(C(C)(C)C)c(=O)n1N=CC(C)C

Molecular Weight¹

268.38

CAS

57052-04-7

Other Names

• Isomethiozin
• 6-tert-butyl-4-isobutylidenamino-3-methylthio-1,2,4-triazin-5-one

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.10		Crippen Calculated Property
logPoct/wat	2.148		Crippen Calculated Property
McVol	214.020	ml/mol	McGowan Calculated Property
Inp	[1948.00; 1953.00]
Inp	1948.00		NIST
Inp	1953.00		NIST

Similar Compounds

Find more compounds similar to 1,2,4-Triazin-5(4H)-one, 6-(1,1-dimethylethyl)-4-[(2-methylpropylidene)amino]-3-(methylthio)-.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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