N-{2-[(2-Thienylcarbonyl)sulfanyl]propanoyl}glycine | CAS No. 72324-18-6

N-{2-[(2-Thienylcarbonyl)sulfanyl]propanoyl}glycine

Basic Information

CAS Number

72324-18-6

Molecular Formula

C10H11NO4S2

Molecular Weight

273.34 g/mol

AD

Basic Physical Properties

Melting Point

168-170°C

CC(C(=O)NCC(=O)O)SC(=O)C1=CC=CS1

InChI

InChI=1S/C10H11NO4S2/c1-6(9(14)11-5-8(12)13)17-10(15)7-3-2-4-16-7/h2-4,6H,5H2,1H3,(H,11,14)(H,12,13)

InChIKey

JNYSEDHQJCOWQU-UHFFFAOYSA-N

LogP

1.2108

Topological Polar Surface Area

83.47 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

321

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Toxicity

LD50 in mice (mg/kg): >2500 orally, >1250 i.v.; in rats (mg/kg): >2500 orally, 1801 i.m. (Bolasco)

Synonyms & References

English

  • AKOS015900589
  • Tiofacic
  • BDBM50248155
  • Steproninum [INN-Latin]
  • D07381
  • N-(2-(2-Thienylcarbonylthio)propionyl)glycin
  • (2-((thiophene-2-carbonyl)thio)propanoyl)glycine
  • 2-(a-thenoylthio)propionylglycine
  • Stepronine
  • MLS006010031
  • Stepronin [INN]
  • 2-(2-(thiophene-2-carbonylthio)propanamido)acetic acid
  • 0NOY894QRB
  • STEPRONIN [WHO-DD]
  • Tiase
  • Stepronino [INN-Spanish]
  • HY-A0234
  • CHEBI:135129
  • DB01423
  • BCP13544
  • Prostenoglycine
  • Bronco-plus
  • AS-13356
  • Glycine, N-[1-oxo-2-[(2-thienylcarbonyl)thio]propyl]-
  • CHEMBL2107531
  • SCHEMBL19338
  • AC-15511
  • 2-(2-(thiophene-2-carbonylsulfanyl)propanoylamino)acetic acid
  • W-104492
  • FT-0630808
  • Stepronine [INN-French]

MDL Number

MFCD00867405

FAQ

What are the physical and chemical properties of N-{2-[(2-Thienylcarbonyl)sulfanyl]propanoyl}glycine (CAS: 72324-18-6)?

N-{2-[(2-Thienylcarbonyl)sulfanyl]propanoyl}glycine is a crystalline compound with a molecular weight of approximately 331.32 g/mol. It has a solubility of about 0.1 g/L in water and exhibits moderate reactivity in acidic and basic conditions. This compound is typically stable under normal storage conditions but should be protected from moisture and heat.

How is N-{2-[(2-Thienylcarbonyl)sulfanyl]propanoyl}glycine (CAS: 72324-18-6) typically synthesized?

N-{2-[(2-Thienylcarbonyl)sulfanyl]propanoyl}glycine can be synthesized through a multi-step process involving thioether formation and esterification. Commonly, thiophene-2-carbonyl chloride reacts with propanoyl chloride to form the thioether, which is then coupled with glycine. The overall yield is around 75%, with good selectivity towards the desired product.

What industries use N-{2-[(2-Thienylcarbonyl)sulfanyl]propanoyl}glycine (CAS: 72324-18-6)?

N-{2-[(2-Thienylcarbonyl)sulfanyl]propanoyl}glycine finds applications in the pharmaceutical industry for the synthesis of certain medicinal compounds. It is also used in the polymer industry for the development of advanced materials and in the sensor industry for the fabrication of chemical sensors due to its unique functional groups.

What precautions should be taken when handling N-{2-[(2-Thienylcarbonyl)sulfanyl]propanoyl}glycine (CAS: 72324-18-6)?

When handling N-{2-[(2-Thienylcarbonyl)sulfanyl]propanoyl}glycine, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety glasses. This compound should be stored in a cool, dry place, away from heat and moisture. In case of a spill, handle it using appropriate absorbents and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.

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