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2,4,5-trichloro-6-sulfanylbenzene-1,3-dicarbonitrile

2,4,5-trichloro-6-sulfanylbenzene-1,3-dicarbonitrile structure

CAS No:
56952-99-9
Formula:
C8HCl3N2S
Chemical Name:
2,4,5-trichloro-6-sulfanylbenzene-1,3-dicarbonitrile
Synonyms:
2,4,5-Trichloro-6-sulfanylbenzene-1,3-dicarbonitrile;56952-99-9;SCHEMBL8888050;DTXSID90205502;2,5,6-Trichloro-4-mercaptoisophthalonitrile

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2,4,5-trichloro-6-sulfanylbenzene-1,3-dicarbonitrile Basic Attributes

Molecular Weight：

263.5 g/mol

Exact Mass：

261.892602 g/mol

DSSTox ID：

DTXSID90205502

Characteristics

PSA：

48.6 Å²

2,4,5-trichloro-6-sulfanylbenzene-1,3-dicarbonitrile Use and Manufacturing

Use Classification：

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Agrochemical：

2,5,6-trichloro-4-thio-isophthalonitrile is a known environmental transformation product of Chlorothalonil.

Computed Properties

Molecular Weight:263.5
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:261.892602
Monoisotopic Mass:261.892602
Topological Polar Surface Area:48.6
Heavy Atom Count:14
Complexity:317
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,4,5-trichloro-6-sulfanylbenzene-1,3-dicarbonitrile

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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