3-Amino-2-Methyl-5,6,7,8-Tetrahydro-3H-Benzo[4,5]Thieno[2,3-d]Pyrimidin-4-One
[CAS# 43088-52-4]

Identification

• Name: 3-Amino-2-Methyl-5,6,7,8-Tetrahydro-3H-Benzo[4,5]Thieno[2,3-d]Pyrimidin-4-One
• Synonyms: 3-Amino-2-Methyl-5,6,7,8-Tetrahydrobenzothiopheno[3,2-E]Pyrimidin-4-One; 5,6,7,8-Tetrahydro-3-Amino-2-Methylbenzothieno(2,3-D)Pyrimidin-4(3H)-One; Brn 5043162
• Molecular Formula: C₁₁H₁₃N₃OS
• Molecular Weight: 235.30
• CAS Registry Number: 43088-52-4
• SMILES: CC1=NC3=C(C(N1N)=O)C2=C(CCCC2)S3
• InChI: 1S/C11H13N3OS/c1-6-13-10-9(11(15)14(6)12)7-4-2-3-5-8(7)16-10/h2-5,12H2,1H3
• InChIKey: CZRSWELKXRQSMW-UHFFFAOYSA-N

Properties

• Desity: 1.597g/cm³ (Cal.)
• Boiling point: 472.8°C at 760 mmHg (Cal.)
• Flash point: 239.741°C (Cal.)

References

• (1): Vasu, K. A. Nirmala, D. Chopra, S. Mohan and J. Saravanan. 3-Amino-2-methyl-5,6,7,8-tetrahydro-1-benzothieno[2,3-d]pyrimidin-4(3H)-one, Acta Cryst. (2004). E60, o1239-o1240