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5-ANILINO-3-METHYLISOTHIAZOLE-4-CARBONITRILE

5-ANILINO-3-METHYLISOTHIAZOLE-4-CARBONITRILE structure

CAS No:
91093-88-8
Formula:
C11H9N3S
Chemical Name:
5-ANILINO-3-METHYLISOTHIAZOLE-4-CARBONITRILE

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5-ANILINO-3-METHYLISOTHIAZOLE-4-CARBONITRILE Basic Attributes

Molecular Weight：

215.274

Exact Mass：

215.05200

DSSTox ID：

DTXSID30363453

HScode：

2934999090

Characteristics

PSA：

XLogP3：

3.13978

Density：

1.28g/cm3

Boiling Point：

288.9ºC at 760mmHg

Flash Point：

128.5ºC

Refractive Index：

1.641

Water Solubility：

7.7 [ug/mL]

Computed Properties

Molecular Weight:215.28
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:215.05171847
Monoisotopic Mass:215.05171847
Topological Polar Surface Area:77
Heavy Atom Count:15
Complexity:254
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-ANILINO-3-METHYLISOTHIAZOLE-4-CARBONITRILE

Basic Attributes
Characteristics
Computed Properties

5-ANILINO-3-METHYLISOTHIAZOLE-4-CARBONITRILE

SDS

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