[(4-Oxo-3,4,5,6,7,8-Hexahydro[1]Benzothieno[2,3-d]Pyrimidin-2-Yl)Sulfanyl]Acetic Acid
[CAS# 112672-69-2]

Identification

• Name: [(4-Oxo-3,4,5,6,7,8-Hexahydro[1]Benzothieno[2,3-d]Pyrimidin-2-Yl)Sulfanyl]Acetic Acid
• Synonyms: d ]pyrimidin-2-ylsulfanyl)-acetic acid; (4-Oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3-; (4-Oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]thieno[2,3- d ]pyrimidin-2-ylsulfanyl)-acetic acid
• Molecular Formula: C₁₂H₁₂N₂O₃S₂
• Molecular Weight: 296.37
• CAS Registry Number: 112672-69-2
• SMILES: O=C1c2c3c(sc2/N=C(/SCC(=O)O)N1)CCCC3
• InChI: 1S/C12H12N2O3S2/c15-8(16)5-18-12-13-10(17)9-6-3-1-2-4-7(6)19-11(9)14-12/h1-5H2,(H,15,16)(H,13,14,17)
• InChIKey: RXADBNGYRCQTLE-UHFFFAOYSA-N

Properties

• Density: 1.737g/cm³ (Cal.)
• Refractive index: 1.824 (Cal.)