CAS 13906-09-7

2-Mercapto-4(3H)-quinazolinone

Description:

2-Mercapto-4(3H)-quinazolinone, with the CAS number 13906-09-7, is a heterocyclic organic compound characterized by its quinazolinone core structure, which features a thiol (-SH) group at the 2-position. This compound exhibits notable properties such as being a potential ligand in coordination chemistry due to the presence of the thiol group, which can form stable complexes with various metal ions. It is often studied for its biological activities, including potential antimicrobial and anticancer properties, attributed to its ability to interact with biological targets. The compound is typically a solid at room temperature and may exhibit solubility in polar solvents. Its reactivity is influenced by the presence of the thiol group, which can participate in redox reactions and nucleophilic attacks. Additionally, 2-Mercapto-4(3H)-quinazolinone can undergo various chemical transformations, making it a versatile building block in organic synthesis and medicinal chemistry. Safety data should be consulted for handling, as thiol compounds can be sensitive to oxidation and may have specific toxicity profiles.

Formula: C₈H₆N₂OS

InChI: InChI=1S/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)

InChI key: InChIKey=PUPFOFVEHDNUJU-UHFFFAOYSA-N

SMILES: O=C1C=2C(NC(=S)N1)=CC=CC2

Synonyms:

• 2,3-Dihydro-2-thioxo-4(1H)-quinazolinone
• 2,3-Dihydro-2-thioxoquinazolin-4(1H)-one
• 2,4(1H,3H)-Quinazolinedione, 2-thio-
• 2-Mercapto-3,4-dihydro-4-quinazolone
• 2-Mercapto-3H-quinazolin-4-one
• 2-Mercapto-4-quinazolinol
• 2-Mercaptoquinazolin-4(1H)-one
• 2-Mercaptoquinazolin-4-one
• 2-Sulfanyl-1,4-dihydroquinazolin-4-one
• 2-Sulfanyl-3,4-dihydroquinazolin-4-one
• 2-Sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
• 2-Sulfanylidene-1H-quinazolin-4-one
• 2-Sulfanylquinazolin-4-ol
• 2-Thio-2,4(1H,3H)-quinazolinedione
• 2-Thio-4-oxo-1,2,3,4-tetrahydroquinazoline
• 2-Thioxo-2,3-dihydro-1H-quinazolin-4-one
• 2-Thioxo-4-quinazolinone
• 2-thioxo-2,3-dihydroquinazolin-4(1H)-one

2-Mercapto-4(3H)-quinazolinone

CAS: 13906-09-7

Formula: C₈H₆N₂OS

Purity: >98.0%(T)(HPLC)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 178.21

Ref: 3B-M1089

4(1H)-Quinazolinone, 2,3-dihydro-2-thioxo-

CAS: 13906-09-7

Formula: C₈H₆N₂OS

Purity: 95%

Color and Shape: Solid

Molecular weight: 178.2110

Ref: IN-DA001A3S

2-Thioxo-2,3-dihydroquinazolin-4(1H)-one

CAS: 13906-09-7

2-Thioxo-2,3-dihydroquinazolin-4(1H)-one

Purity: 98%

Molecular weight: 178.216g/mol

Ref: 54-OR75186

2-mercaptoquinazolin-4(3H)-one

CAS: 13906-09-7

Formula: C₈H₆N₂OS

Purity: 97%

Color and Shape: Solid

Molecular weight: 178.21

Ref: 10-F372226