Propanedinitrile, (1-(2-(((5-(4-thiomorpholinylmethyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:1)

Base Information

• Chemical Name: Propanedinitrile, (1-(2-(((5-(4-thiomorpholinylmethyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:1)
• CAS No.: 135017-91-3
• Molecular Formula: C22H28N6O5S
• Molecular Weight: 488.5599

Synonyms:135017-91-3;Propanedinitrile, (1-(2-(((5-(4-thiomorpholinylmethyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:1);C18H24N6OS.C4H4O4;LS-120046;C18-H24-N6-O-S.C4-H4-O4

Chemical Property of Propanedinitrile, (1-(2-(((5-(4-thiomorpholinylmethyl)-2-furanyl)methyl)amino)ethyl)-2-imidazolidinylidene)-, (E)-2-butenedioate (1:1)

Chemical Property:

• Vapor Pressure: 4.33E-11mmHg at 25°C
• Boiling Point: 524.4°C at 760 mmHg
• Flash Point: 270.9°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 488.18418919
• Heavy Atom Count: 34
• Complexity: 700

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(C(=C(C#N)C#N)N1)CCNCC2=CC=C(O2)CN3CCSCC3.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: C1CN(C(=C(C#N)C#N)N1)CCNCC2=CC=C(O2)CN3CCSCC3.C(=C/C(=O)O)\C(=O)O

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