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A-(METHYLTHIO)ACETAMIDE

A-(METHYLTHIO)ACETAMIDE structure

CAS No:
22551-24-2
Formula:
C3H7NOS
Chemical Name:
A-(METHYLTHIO)ACETAMIDE
Synonyms:
A-(METHYLTHIO)ACETAMIDE;2-(Methylthio)acetamide;2-(Methylsulfanyl)acetaMide;Methionyl acetaMide
Categories:
Specialty Chemicals

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A-(METHYLTHIO)ACETAMIDE Basic Attributes

Molecular Weight：

105.16

Exact Mass：

105.024834

DSSTox ID：

DTXSID50338249

HScode：

2930909090

Characteristics

PSA：

68.4

XLogP3：

-0.2

Appearance：

white solid

Density：

1.1±0.1 g/cm3

Melting Point：

99-102℃

Boiling Point：

259℃

Flash Point：

110℃

Refractive Index：

1.505

Vapor Pressure：

0.0135mmHg at 25°C

Safety Information

Precautionary statement(s)：

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, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (50%): 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|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

alpha-(methylthio)acetamide

A-(METHYLTHIO)ACETAMIDE Use and Manufacturing

100.01 g (0.921 mol) of methyl chloroacetate, 0.51 g of tetramethylammonium bromide was added, the temperature was lowered to 20 °C., and 355.21 g of 20percent sodium methanethiolate (1.013 mol) was added dropwise. After heating to 40-50 °C for 1 h, the reaction was completed. After the mixture was cooled to room temperature, 3 X 300 ml of dichloromethane was added for extraction. The organic phases were combined and the solvent was deconstituted with dichloromethane. The residue was cooled to 0-5 °C, 138.41g of 28percent aqueous ammonia (1.106mol) was added and reacted for 2 ~ 3h, then crystallized at 0 ~ 5 °C for 2 ~ 3h, filtered and dried to give 55.85g white crystals, namely HPLC purity of detection was 100.00percent.

Computed Properties

Molecular Weight:105.16
XLogP3:-0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:105.02483502
Monoisotopic Mass:105.02483502
Topological Polar Surface Area:68.4
Heavy Atom Count:6
Complexity:54.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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