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1,2-thiazetidine-1,1-dione

1,2-thiazetidine-1,1-dione structure

CAS No:
34817-61-3
Formula:
C2H5NO2S
Chemical Name:
1,2-thiazetidine-1,1-dione
Synonyms:
1,2-thiazetidine-1,1-dione;1,2-Thiazetidine, 1,1-dioxide

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1,2-thiazetidine-1,1-dione Basic Attributes

Molecular Weight：

107.13

Exact Mass：

107.00409958

EC Number：

828-496-1

DSSTox ID：

DTXSID40514030

Characteristics

Density：

1.455±0.06 g/cm3

Melting Point：

50-51 °C

Boiling Point：

212.4±23.0 °C(Predicted)

PKA：

9.58±0.20

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:107.13
XLogP3:-0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:107.00409958
Monoisotopic Mass:107.00409958
Topological Polar Surface Area:54.6
Heavy Atom Count:6
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,2-thiazetidine-1,1-dione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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