2,2',2'',2''',2'''',2'''''-[(Benzene-1,2,3,4,5,6-Hexyl)Hexakis(Methylene)]Hexakis(Isothiourea)
[CAS# 64039-41-4]

Identification

• Name: 2,2',2'',2''',2'''',2'''''-[(Benzene-1,2,3,4,5,6-Hexyl)Hexakis(Methylene)]Hexakis(Isothiourea)
• Synonyms: [2,3,4,5,6-Pentakis(Carbamimidoylsulfanylmethyl)Phenyl]Methylsulfanylformamidine; [[2,3,4,5,6-Pentakis[(Carbamimidoylthio)Methyl]Phenyl]Methylthio]Formamidine; [[2,3,4,5,6-Pentakis[(Amidinothio)Methyl]Benzyl]Thio]Formamidine
• Molecular Formula: C₁₈H₃₀N₁₂S₆
• Molecular Weight: 606.88
• CAS Registry Number: 64039-41-4
• SMILES: C(C1=C(C(=C(C(=C1CSC(=N)N)CSC(=N)N)CSC(=N)N)CSC(=N)N)CSC(=N)N)SC(=N)N
• InChI: 1S/C18H30N12S6/c19-13(20)31-1-7-8(2-32-14(21)22)10(4-34-16(25)26)12(6-36-18(29)30)11(5-35-17(27)28)9(7)3-33-15(23)24/h1-6H2,(H3,19,20)(H3,21,22)(H3,23,24)(H3,25,26)(H3,27,28)(H3,29,30)
• InChIKey: RBTMPXCELKWOBK-UHFFFAOYSA-N

Properties

• Density: 1.776g/cm³ (Cal.)
• Boiling point: 812.667°C at 760 mmHg (Cal.)
• Flash point: 445.285°C (Cal.)