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1-ISOTHIAZOL-5-YL-ETHANONE

1-ISOTHIAZOL-5-YL-ETHANONE structure

CAS No:
3684-00-2
Formula:
C5H5NOS
Chemical Name:
1-ISOTHIAZOL-5-YL-ETHANONE
Synonyms:
1-Isothiazol-5-yl-ethanone;1-(Isothiazol-5-yl)ethanone;5-Acetylisothiazole;1-(1,2-thiazol-5-yl)ethanone;1-(1,2-thiazol-5-yl)ethan-1-one;5-acetyl-isothiazole;1-Isothiazol-5-ylmethanone;Ethanone,1-(5-isothiazolyl)-;SCHEMBL13755935;CTK4H7234

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1-ISOTHIAZOL-5-YL-ETHANONE Basic Attributes

Molecular Weight：

127.16400

Exact Mass：

127.00900

DSSTox ID：

DTXSID90649669

HScode：

2934999090

Characteristics

PSA：

58.20000

XLogP3：

1.34570

Density：

1.226g/cm3

Boiling Point：

117.4ºC at 760mmHg

Flash Point：

24.8ºC

Refractive Index：

1.545

Safety Information

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

Computed Properties

Molecular Weight:127.17
XLogP3:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:127.00918496
Monoisotopic Mass:127.00918496
Topological Polar Surface Area:58.2
Heavy Atom Count:8
Complexity:105
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-ISOTHIAZOL-5-YL-ETHANONE

Basic Attributes
Characteristics
Safety Information
Computed Properties

1-ISOTHIAZOL-5-YL-ETHANONE

SDS

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