CAS 13431-41-9

4-Benzylthiosemicarbazide

Description:

4-Benzylthiosemicarbazide is an organic compound characterized by its thiosemicarbazide structure, which includes a benzyl group attached to the nitrogen atom of the thiosemicarbazide moiety. It typically appears as a white to off-white crystalline solid and is soluble in polar organic solvents. The compound is known for its potential biological activities, including antimicrobial and anticancer properties, making it of interest in medicinal chemistry. Its molecular structure features a thiocarbonyl group, which contributes to its reactivity and ability to form coordination complexes with metal ions. Additionally, 4-benzylthiosemicarbazide can participate in various chemical reactions, such as condensation and substitution reactions, due to the presence of functional groups like amine and thiol. Safety data indicates that, like many thiosemicarbazides, it should be handled with care, as it may pose health risks upon exposure. Overall, this compound serves as a valuable building block in the synthesis of more complex molecules in pharmaceutical research.

Formula: C₈H₁₁N₃S

InChI: InChI=1S/C8H11N3S/c9-11-8(12)10-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H2,10,11,12)

InChI key: InChIKey=ZTRUHAVBRPABTK-UHFFFAOYSA-N

SMILES: C(NC(NN)=S)C1=CC=CC=C1

Synonyms:

• 1-Amino-3-benzylthiourea
• 3-Amino-1-benzylthiourea
• 4-Benzylhydrazinethiocarbamide
• 4-Benzylthiosemicarbazide
• B 1308
• Hydrazinecarbothioamide, N-(phenylmethyl)-
• N-(Phenylmethyl)hydrazinecarbothioamide
• N-Benzylthiosemicarbazide
• N-benzylhydrazinecarbothioamide
• NSC 263514
• Semicarbazide, 4-benzyl-3-thio-

4-Benzyl-3-thiosemicarbazide, 98+%

CAS: 13431-41-9

4-Benzyl-3-thiosemicarbazide is used as a pharmaceutical intermediate. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU re

Formula: C₈H₁₁N₃S

Purity: 98+%

Color and Shape: White to pale cream, Crystals or crystalline powder or powder or needles

Molecular weight: 181.26

Ref: 02-L10920

4-BENZYL-3-THIOSEMICARBAZIDE

CAS: 13431-41-9

Formula: C₈H₁₁N₃S

Purity: 98%

Color and Shape: Solid

Molecular weight: 181.2580

Ref: IN-DA003KSU

4-Benzyl-3-thiosemicarbazide

CAS: 13431-41-9

4-Benzyl-3-thiosemicarbazide

Purity: 98%

Color and Shape: White Solid

Molecular weight: 181.26g/mol

Ref: 54-OR3584

4-Benzyl-3-thiosemicarbazide

CAS: 13431-41-9

Formula: C₈H₁₁N₃S

Purity: 98%

Color and Shape: Solid

Molecular weight: 181.26

Ref: 10-F018233

4-Benzyl-3-thiosemicarbazide

CAS: 13431-41-9

4-Benzyl-3-thiosemicarbazide is a postulated compound that has been shown to inhibit topoisomerase I and II. The inhibition of these enzymes leads to the prevention of DNA replication, repair, and transcription. 4-Benzyl-3-thiosemicarbazide has also been shown to be an anti-cancer agent by inhibiting the growth of tumor cells in vitro. It is thought that this drug may work by binding to the bidentate ligand on topoisomerase I and II, preventing them from cleaving dsDNA. Alternatively, it may work through an intramolecular hydrogen bond or an intermolecular hydrogen bond with the thiol group on the sulfur atom. 4-Benzyl-3-thiosemicarbazide is soluble in water and ethanol but insoluble in ether. It has been shown to have a melting point between 108°C and 111°C, with

Formula: C₈H₁₁N₃S

Purity: Min. 95%

Molecular weight: 181.26 g/mol

Ref: 3D-NAA43141