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Isomethiozin

Isomethiozin structure

CAS No:
57052-04-7
Formula:
C12H20N4OS
Chemical Name:
Isomethiozin
Synonyms:
1,2,4-Triazin-5(4H)-one,6-(1,1-dimethylethyl)-4-[(2-methylpropylidene)amino]-3-(methylthio)-;6-(1,1-Dimethylethyl)-4-[(2-methylpropylidene)amino]-3-(methylthio)-1,2,4-triazin-5(4H)-one;4-Isobutylidenamino-6-tert-butyl-3-methylthio-1,2,4-triazin-5-one;Tantizon;Isomethiozin
Categories:
Agrochemicals > Herbicides

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Isomethiozin Basic Attributes

Molecular Weight：

268.38

Exact Mass：

268.38

EC Number：

260-532-6

DSSTox ID：

DTXSID7042067

HScode：

29336990

Characteristics

PSA：

85.44000

XLogP3：

2.04860

Density：

1.14g/cm3

Melting Point：

159.3 °C

Boiling Point：

350.9ºC at 760mmHg

Flash Point：

166ºC

Refractive Index：

1.566

Water Solubility：

3.73e-05 M

Vapor Pressure：

3.50e-07 mmHg

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

RTECS Number：

XZ3018760

Drug Information

MeSH Entry Terms：

isomethiozin

Computed Properties

Molecular Weight:268.38
XLogP3:3.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:268.13578245
Monoisotopic Mass:268.13578245
Topological Polar Surface Area:82.7
Heavy Atom Count:18
Complexity:418
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes