CAS 113900-63-3

Carbamothioic acid, [(1-methoxy-1H-indol-3-yl)methyl]-, S-methyl ester

Description:

Carbamothioic acid, [(1-methoxy-1H-indol-3-yl)methyl]-, S-methyl ester, identified by CAS number 113900-63-3, is a chemical compound characterized by its unique structure that combines an indole moiety with a carbamothioic acid derivative. This compound features a methoxy group attached to the indole ring, which contributes to its potential biological activity and solubility properties. The presence of the S-methyl ester functional group indicates that it may exhibit specific reactivity patterns typical of thioesters, such as susceptibility to nucleophilic attack. The compound's indole structure is known for its role in various biological processes and can influence its pharmacological properties. Additionally, the presence of the carbamothioic acid functionality suggests potential applications in medicinal chemistry, particularly in the development of compounds with antimicrobial or anticancer activities. Overall, this compound's unique structural features may provide avenues for research in organic synthesis and drug development, although specific biological activities and applications would require further investigation.

Formula: C₁₂H₁₄N₂O₂S

InChI: InChI=1S/C12H14N2O2S/c1-16-14-8-9(7-13-12(15)17-2)10-5-3-4-6-11(10)14/h3-6,8H,7H2,1-2H3,(H,13,15)

InChI key: InChIKey=BHXCFNZULGNWRA-UHFFFAOYSA-N

SMILES: C(NC(SC)=O)C=1C=2C(N(OC)C1)=CC=CC2

Synonyms:

• 1-Methoxybrassitin
• Carbamothioic acid, [(1-methoxy-1H-indol-3-yl)methyl]-, S-methyl ester

S-Methyl ((1-methoxy-1H-indol-3-yl)methyl)carbamothioate

CAS: 113900-63-3

Formula: C₁₂H₁₄N₂O₂S

Molecular weight: 250.3168

Ref: IN-DA000A1X