CAS 519056-65-6: Carbamic acid, [(4,5-dihydro-4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-, 1,1-dimethylethyl ester

Description: Carbamic acid, [(4,5-dihydro-4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-, 1,1-dimethylethyl ester, identified by CAS number 519056-65-6, is a chemical compound characterized by its unique structure that includes a carbamic acid moiety and a triazole derivative. This compound features a thioxo group, which contributes to its reactivity and potential biological activity. The presence of the 1,1-dimethylethyl ester group enhances its lipophilicity, potentially influencing its solubility and permeability in biological systems. The triazole ring is known for its role in various pharmacological applications, including antifungal and antimicrobial properties. The compound may exhibit specific interactions with biological targets, making it of interest in medicinal chemistry. Its stability, reactivity, and potential applications in agriculture or pharmaceuticals would depend on the specific functional groups and their arrangement within the molecule. As with many chemical substances, safety and handling precautions are essential when working with this compound due to its potential biological activity.

Formula: C₉H₁₆N₄O₂S

InChI: InChI=1S/C9H16N4O2S/c1-9(2,3)15-8(14)10-5-6-11-12-7(16)13(6)4/h5H2,1-4H3,(H,10,14)(H,12,16)

InChI key: InChIKey=LPNDBGSFUXFDQF-UHFFFAOYSA-N

SMILES: O=C(OC(C)(C)C)NCC1=NNC(=S)N1C

Synonyms:

• Carbamic acid, [(4,5-dihydro-4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]-, 1,1-dimethylethyl ester
• tert-butyl N-[(5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl]carbamate

TERT-BUTYL N-[(5-MERCAPTO-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)METHYL]CARBAMATE

CAS: 519056-65-6

• Formula: C₉H₁₆N₄O₂S
• Purity: 98%
• Molecular weight: 244.3139

5-(Aminomethyl)-4-methyl-4H-1,2,4-triazole-3-thiol, 5-BOC protected

CAS: 519056-65-6

• Purity: 95
• Molecular weight: 244.31g/mol

tert-Butyl N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]carbamate

CAS: 519056-65-6

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• Formula: C₉H₁₆N₄O₂S
• Purity: Min. 95%
• Molecular weight: 244.32 g/mol