N-(2-Oxotetrahydro-3-thiophenyl)acetamide

Basic Information

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CAS Number

1195-16-0

Molecular Formula

C6H9NO2S

Molecular Weight

159.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

109.0 to 113.0 deg-C

Boiling Point

427.3°C at 760 mmHg

Refractive Index

1.5500 (estimate)

SMILES

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CC(=O)NC1CCSC1=O

InChI

InChI=1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)

InChIKey

NRFJZTXWLKPZAV-UHFFFAOYSA-N

LogP

0.15460000000000013

Topological Polar Surface Area

46.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

169

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Toxicity

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

Synonyms & References

English

N-Acetylhomocysteine thiolactone
NCGC00016568-01
5-18-11-00320 (Beilstein Handbook Reference)
(1)-N-(Tetrahydro-2-oxothien-3-yl)acetamide
Ahctl
DTXSID0045888
2-Acetamide-4-mercaptobutyric acid .gamma.-thiolactone
SR-01000872700
1195-16-0
Prestwick1_000644
Pharmakon1600-01503205
alpha-Acetamido-gamma-thiobutyrolactone
s4558
Q15408416
DL-3-(Acetylamino)tetrahydro-2-thiophenone
N,N-dimethyl-2,4-dinitro-benzenesulfonamide
3-Acetamidotetrahydro-2-thiophenone
SPBio_002568
Prestwick_1
Prestwick2_000644
HMS2097A09
2-Acetamido-4-mercaptobutyric acid $g-thiolactone
HY-B0931
BCP30727
AKOS002808092
Acetamide, N-(tetrahydro-2-oxo-3-thienyl)-
Citiolone (INN)
DL-N-Acetylhomocysteine thiolactone, 98%
BRD-A57957888-001-06-4
F17228
DB13442

MDL Number

MFCD00005480

Customs Code

2934999090

FAQ

What is N-(2-Oxotetrahydro-3-thiophenyl)acetamide (CAS: 1195-16-0)?

N-(2-Oxotetrahydro-3-thiophenyl)acetamide (CAS: 1195-16-0) is a chemical compound characterized by its thiophene ring and amide functionality. It is a white or off-white solid with a molecular formula of C8H9NO2S and a molecular weight of approximately 173.24 g/mol. This compound exhibits properties such as being slightly soluble in water and having a distinctive odor.

What are the main uses of N-(2-Oxotetrahydro-3-thiophenyl)acetamide (CAS: 1195-16-0)?

N-(2-Oxotetrahydro-3-thiophenyl)acetamide (CAS: 1195-16-0) is utilized in pharmaceuticals and research for its potential as a pharmacological agent. It is also applicable in analytical chemistry for its reactivity and stability, making it a valuable compound in synthetic organic chemistry.

Is N-(2-Oxotetrahydro-3-thiophenyl)acetamide (CAS: 1195-16-0) safe?

N-(2-Oxotetrahydro-3-Thiophenyl)acetamide (CAS: 1195-16-0) is generally considered safe when handled with proper precautions. It is important to avoid skin contact and inhalation. Protective measures include wearing gloves and a laboratory coat. Ensure adequate ventilation and store it in a dry, cool place away from direct sunlight.

How should N-(2-Oxotetrahydro-3-thiophenyl)acetamide (CAS: 1195-16-0) be stored?

N-(2-Oxotetrahydro-3-Thiophenyl)acetamide (CAS: 1195-16-0) should be stored in a tightly sealed container in a cool, dry place away from direct sunlight and heat sources. Maintain a temperature below 25°C and keep the relative humidity below 75%. Handle with care to prevent spills and ensure proper ventilation during use.