structure of 2-{1-[(Methylsulfanyl)methyl]cyclopropyl}acetic acid

2-{1-[(Methylsulfanyl)methyl]cyclopropyl}acetic acid

CAS No.: 1001907-63-6
M. Wt: 160.23
M. Fa: C7H12O2S
InChI Key: XGTQTJSLMMWRBH-UHFFFAOYSA-N
Appearance: Brown Liquid

Names and Identifiers of 1001907-63-6

CAS Number

1001907-63-6

IUPAC Name

2-[1-(methylsulfanylmethyl)cyclopropyl]acetic acid

InChI

InChI=1S/C7H12O2S/c1-10-5-7(2-3-7)4-6(8)9/h2-5H2,1H3,(H,8,9)

InChIKey

XGTQTJSLMMWRBH-UHFFFAOYSA-N

Canonical SMILES

CSCC1(CC1)CC(=O)O

Physical and chemical properties of 1001907-63-6

Acidity coefficient

4.76±0.10(Predicted)

Boiling Point

291.0±13.0 °C(Predicted)

Density

1.183±0.06 g/cm3(Predicted)

Molecular Formula

C7H12O2S

Molecular Weight

160.23

Applications of 1001907-63-6

The primary applications of 2-{1-[(Methylsulfanyl)methyl]cyclopropyl}acetic acid include:

  • Biological Buffering Agent: Used in cell culture media to stabilize pH levels.
  • Pharmaceutical Research: Potential use as an intermediate in drug development due to its structural uniqueness.
  • Chemical Research: Serves as a starting material for synthesizing other biologically active compounds.

These applications underscore its importance in both academic and industrial settings.

Interaction Studies of 1001907-63-6

Interaction studies involving 2-{1-[(Methylsulfanyl)methyl]cyclopropyl}acetic acid focus on its behavior in biological systems, particularly how it interacts with enzymes and cellular components. Preliminary studies suggest that it may influence metabolic pathways due to its structural similarity to other bioactive compounds. Further research is necessary to elucidate these interactions fully and understand their implications for drug design and therapeutic applications.

Physical sample testing spectrum (NMR) of 1001907-63-6

Physical sample testing spectrum (NMR) of 1001907-63-6