2-{7-Thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}benzoic acid

cas: 554407-97-5 — see every product listed under this CAS number, including other names

2-{7-Thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}benzoic acid (CAS 554407-97-5) is a chemical reagent available from Chemat. Available pack sizes: 5g, 0,5g. Offered by: Biosynth.

• 2D
• 3D

2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)benzoic acid (CAS 554407-97-5) is a chemical compound with the molecular formula C16H12N2O2S2 and a molecular weight of 328.4 g/mol. IUPAC name: 2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)benzoic acid. InChIKey: QFTBUYQYYPLHDV-UHFFFAOYSA-N.

Identity

Molecular formula	C16H12N2O2S2
Molecular weight	328.4 g/mol
IUPAC name	2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)benzoic acid
InChIKey	QFTBUYQYYPLHDV-UHFFFAOYSA-N
SMILES	C1CC2=C(C1)SC3=C2C(=NC=N3)SC4=CC=CC=C4C(=O)O

Computed by PubChem (NCBI)

Synonyms: 2-(2,3-Dihydro-1H-8-thia-5,7-diaza-cyclopenta[a]inden-4-ylsulfanyl)-benzoic acid, 2-[(6,7-Dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]benzoic acid, cid_2415319, 2-(7,8-dihydro-6H-cyclopenta[2,3]thieno[2,4-d]pyrimidin-1-ylthio)benzoic acid