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Propanoic acid, 2,2-dimethyl-, 2-amino-2-thioxoethyl ester

Propanoic acid, 2,2-dimethyl-, 2-amino-2-thioxoethyl ester structure

CAS No:
175204-79-2
Formula:
C7H13NO2S
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 2-amino-2-thioxoethyl ester
Synonyms:
Propanoic acid,2,2-dimethyl-,2-amino-2-thioxoethyl ester;1-(tert-Butylcarbonyloxy)thioacetamide;2-(tert-Butylcarbonyloxy)thioacetamide;2-Amino-2-thioxoethyl pivalate;2,2-Dimethylpropionic acid (thiocarbamoyl)methyl ester;2-Amino-2-thioxoethyl 2,2-dimethylpropanoate

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Propanoic acid, 2,2-dimethyl-, 2-amino-2-thioxoethyl ester Basic Attributes

Molecular Weight：

175.25

Exact Mass：

175.25

DSSTox ID：

DTXSID80381945

HScode：

2930909090

Characteristics

PSA：

84.4

XLogP3：

1.56210

Density：

1.121g/cm3

Melting Point：

78-80

Boiling Point：

251.6ºC at 760 mmHg

Flash Point：

106ºC

Refractive Index：

1.513

Vapor Pressure：

0.0203mmHg at 25°C

Safety Information

Hazard note：

Harmful

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, 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:175.25
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:175.06669983
Monoisotopic Mass:175.06669983
Topological Polar Surface Area:84.4
Heavy Atom Count:11
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Propanoic acid, 2,2-dimethyl-, 2-amino-2-thioxoethyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
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Propanoic acid, 2,2-dimethyl-, 2-amino-2-thioxoethyl ester

SDS

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