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3-METHYLISOTHIAZOLE

3-METHYLISOTHIAZOLE structure

CAS No:
693-92-5
Formula:
C4H5NS
Chemical Name:
3-METHYLISOTHIAZOLE
Synonyms:
3-METHYLISOTHIAZOLE;3-METHYL-ISOTHIAZOLE;Isothiazole, 3-methyl-;3-methyl-1,2-thiazole;methylisothiazole;CTK2F7432;DTXSID30219360;KS-00003H2J;ZINC2031401;0717AC

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3-METHYLISOTHIAZOLE Basic Attributes

Molecular Weight：

99.15420

Exact Mass：

99.01430

DSSTox ID：

DTXSID30219360

HScode：

2934999090

Characteristics

PSA：

41.13000

XLogP3：

1.45150

Density：

1.121g/cm3

Melting Point：

167-168℃ (water )

Boiling Point：

49.7ºC at 760 mmHg

Refractive Index：

1.535

Computed Properties

Molecular Weight:99.16
XLogP3:1.4
Hydrogen Bond Acceptor Count:2
Exact Mass:99.01427034
Monoisotopic Mass:99.01427034
Topological Polar Surface Area:41.1
Heavy Atom Count:6
Complexity:46.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-METHYLISOTHIAZOLE

Basic Attributes
Characteristics
Computed Properties

3-METHYLISOTHIAZOLE

SDS

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