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Isothiazole,4,5-dihydro-,1,1-dioxide

Isothiazole,4,5-dihydro-,1,1-dioxide structure

CAS No:
881652-45-5
Formula:
C3H5NO2S
Chemical Name:
Isothiazole,4,5-dihydro-,1,1-dioxide
Synonyms:
Isothiazole, 4,5-dihydro-, 1,1-dioxide;4,5-Dihydroisothiazole 1,1-dioxide

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Isothiazole,4,5-dihydro-,1,1-dioxide Basic Attributes

Molecular Weight：

119.14

Exact Mass：

119.00409958

DSSTox ID：

DTXSID70596102

Characteristics

Density：

1.55±0.1 g/cm3

Melting Point：

68-70 °C

Boiling Point：

248.7±23.0 °C(Predicted)

PKA：

-2.24±0.20

Computed Properties

Molecular Weight:119.14
XLogP3:-0.9
Hydrogen Bond Acceptor Count:3
Exact Mass:119.00409958
Monoisotopic Mass:119.00409958
Topological Polar Surface Area:54.9
Heavy Atom Count:7
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Isothiazole,4,5-dihydro-,1,1-dioxide

Basic Attributes
Characteristics
Computed Properties

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