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5-(2-CHLOROANILINO)-3-HYDROXYISOTHIAZOLE-4-CARBONITRILE

5-(2-CHLOROANILINO)-3-HYDROXYISOTHIAZOLE-4-CARBONITRILE structure

CAS No:
287196-71-8
Formula:
C10H6ClN3OS
Chemical Name:
5-(2-CHLOROANILINO)-3-HYDROXYISOTHIAZOLE-4-CARBONITRILE
Synonyms:
5-(2-CHLOROANILINO)-3-HYDROXYISOTHIAZOLE-4-CARBONITRILE

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Description

5-(2-chloroanilino)-3-oxo-4-isothiazolecarbonitrile is a substituted aniline.

5-(2-CHLOROANILINO)-3-HYDROXYISOTHIAZOLE-4-CARBONITRILE Basic Attributes

Molecular Weight：

251.69

Exact Mass：

250.99200

DSSTox ID：

DTXSID90369411

Characteristics

PSA：

90.2

XLogP3：

3.19038

Density：

1.55g/cm3

Melting Point：

100ºC

Boiling Point：

307.8ºC at 760 mmHg

Flash Point：

139.9ºC

Refractive Index：

1.706

Water Solubility：

>37.8 [ug/mL]

Vapor Pressure：

0.000391mmHg at 25°C

Safety Information

hazard class code：

safety instructions：

Marks：

Computed Properties

Molecular Weight:251.69
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:250.9920107
Monoisotopic Mass:250.9920107
Topological Polar Surface Area:90.2
Heavy Atom Count:16
Complexity:387
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(2-CHLOROANILINO)-3-HYDROXYISOTHIAZOLE-4-CARBONITRILE

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties

5-(2-CHLOROANILINO)-3-HYDROXYISOTHIAZOLE-4-CARBONITRILE

SDS

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