4-Chloro-2-(Phenylsulfanylmethyl)-5,6,7,8-Tetrahydro-[1]Benzothiolo[3,2-e]Pyrimidine
[CAS# 128277-14-5]

Identification

• Name: 4-Chloro-2-(Phenylsulfanylmethyl)-5,6,7,8-Tetrahydro-[1]Benzothiolo[3,2-e]Pyrimidine
• Synonyms: 4-Chloro-2-(Phenylsulfanylmethyl)-5,6,7,8-Tetrahydrobenzothiopheno[3,2-E]Pyrimidine; 4-Chloro-2-[(Phenylthio)Methyl]-5,6,7,8-Tetrahydrobenzothiopheno[3,2-E]Pyrimidine; Zinc03222743
• Molecular Formula: C₁₇H₁₅ClN₂S₂
• Molecular Weight: 346.89
• CAS Registry Number: 128277-14-5
• SMILES: C1=CC=CC=C1SCC2=NC3=C(C(=N2)Cl)C4=C(S3)CCCC4
• InChI: 1S/C17H15ClN2S2/c18-16-15-12-8-4-5-9-13(12)22-17(15)20-14(19-16)10-21-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
• InChIKey: DDKXLNWDGWPPCD-UHFFFAOYSA-N

Properties

• Density: 1.405g/cm³ (Cal.)
• Boiling point: 451.087°C at 760 mmHg (Cal.)
• Flash point: 226.61°C (Cal.)