4-(4-Methylphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5-trien-3-one

cas: 59898-69-0 — see every product listed under this CAS number, including other names

4-(4-Methylphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5-trien-3-one (CAS 59898-69-0) is a chemical reagent available from Chemat. Available pack sizes: 5g, 0,5g. Offered by: Biosynth.

• 2D
• 3D

3-(4-methylphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one (CAS 59898-69-0) is a chemical compound with the molecular formula C17H16N2OS2 and a molecular weight of 328.5 g/mol. IUPAC name: 3-(4-methylphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one. InChIKey: YIURYXHWOANFKY-UHFFFAOYSA-N.

Identity

Molecular formula	C17H16N2OS2
Molecular weight	328.5 g/mol
IUPAC name	3-(4-methylphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
InChIKey	YIURYXHWOANFKY-UHFFFAOYSA-N
SMILES	CC1=CC=C(C=C1)N2C(=O)C3=C(NC2=S)SC4=C3CCCC4

Computed by PubChem (NCBI)

Synonyms: Oprea1_138839, Oprea1_178075

Isomers (same molecular formula)

3-benzyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one C₁₇H₁₆N₂OS₂

7-methyl-3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one C₁₇H₁₆N₂OS₂

11-(2-phenylethyl)-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one C₁₇H₁₆N₂OS₂

3-(3-methylphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one C₁₇H₁₆N₂OS₂

4-phenyl-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-one C₁₇H₁₆N₂OS₂