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4-Methylisothiazole

4-Methylisothiazole structure

CAS No:
693-90-3
Formula:
C4H5NS
Chemical Name:
4-Methylisothiazole
Synonyms:
Isothiazole,4-methyl-;4-Methylisothiazole

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4-Methylisothiazole Basic Attributes

Molecular Weight：

99.15420

Exact Mass：

99.15

DSSTox ID：

DTXSID20219359

HScode：

2934999090

Characteristics

PSA：

41.13000

XLogP3：

1.45150

Density：

1.0187 g/cm³ @ Temp: 20 °C

Boiling Point：

147 °C

Refractive Index：

1.535

Safety Information

GHS Classification：

|Danger|H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:99.16
XLogP3:1.3
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 4-Methylisothiazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-Methylisothiazole

SDS

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