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N-(Tetrahydro-2-oxo-3-thienyl)-acetamide

N-(Tetrahydro-2-oxo-3-thienyl)-acetamide structure

CAS No:
1195-16-0
Formula:
C6H9NO2S
Chemical Name:
N-(Tetrahydro-2-oxo-3-thienyl)-acetamide
Synonyms:
N,N-dimethyl-2,4-dinitrobenzenesulfonamide;3-Acetamidotetrahydro-2-thiophenone;2-acetamido-4-mercaptobutyricacidthiolactone;achtl;ahctl;alpha-acetamido-gamma-thiobutyrolactone;bo714;citiolase

Description

Acicular crystals.maximum UV absorption 238 nm.

N-(2-oxo-3-thiolanyl)acetamide is a N-acyl-amino acid.

Dry Citiolone in a vacuum desiccator. It recrystallises from toluene as needles. It is a ninhydrin -ve substance which gives a “slow” nitroprusside test. It has max at 238nm ( 4,400 M-1cm-1); and (nujol) 1789s and 851ms cm. [Benesch & Benesch J Am Chem Soc 78 1597max 1956, cf Laliberté J Chem Soc 2756 1963.]

N-(Tetrahydro-2-oxo-3-thienyl)-acetamide Basic Attributes

Molecular Weight：

159.21

Exact Mass：

159.21

EC Number：

214-793-8

NSC Number：

758402|22878

TSCA：

TSCA listed

DSSTox ID：

DTXSID0045888

Color/Form：

White to Almost white

ATC Code：

A - Alimentary tract and metabolism

HScode：

2934.99.9001

Characteristics

PSA：

71.5

XLogP3：

0.54550

Density：

1.202 (estimate)

Melting Point：

109-111 °C

Boiling Point：

427.3±34.0 °C(Predicted)

Flash Point：

212.202ºC

Refractive Index：

1.5500 (estimate)

Toxicity：

LD50 i.v. in mice: 1200 mg/kg (Kirnberger)

PKA：

14.62±0.20(Predicted)

Critical Temperature & Pressure：

Sealed in dry,Room Temperature

Safety Information

Transport codes：

UN28116.1/PG3

wgk germany：

hazard class code：

T,Xi

safety instructions：

22-24/25-45-36-26

RTECS Number：

AC8680000

Marks：

T,Xi

Precautionary statement(s)：

P301 + P310

Hazard Statements：

25-36/37/38

RIDADR：

UN 2811 6.1/PG 3

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

citiolone

N-(Tetrahydro-2-oxo-3-thienyl)-acetamide Use and Manufacturing

Uses

Photographic antifogging agent:Dersch, US 3068100 (1962); Weber, DE 1164828 (1964 to Adox Fotowerke Schleussner GmbH), C.A. 60, 14050f (1964); protector against radiation:Langendorff, Koch, Strahlentherapie 106, 451 (1958); Braun et al., ibid. 108, 262 (1959), C.A. 52, 18841h (1958); 53, 17325e (1959).

hepatoprotectant, free radical scavenger

Manufacturing Info：

Acetamide, N-(tetrahydro-2-oxo-3-thienyl)-: INACTIVE

Computed Properties

Molecular Weight:159.21
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:159.03539970
Monoisotopic Mass:159.03539970
Topological Polar Surface Area:71.5
Heavy Atom Count:10
Complexity:169
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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N-(Tetrahydro-2-oxo-3-thienyl)-acetamide

CAS No.: 1195-16-0

Content: 99.00%

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Guide of N-(Tetrahydro-2-oxo-3-thienyl)-acetamide

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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N-(Tetrahydro-2-oxo-3-thienyl)-acetamide

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