Compound C30H54Cl2N4OS2

2-[[2-amino-2-[(3,5-dimethyl-1-adamantyl)methylimino]ethyl]disulfanyl]-N'-[(3,5-dimethyl-1-adamantyl)methyl]ethanimidamide;hydrate;dihydrochloride

CAS: 64058-81-7

Molecular Formula	`C30H54Cl2N4OS2`
Molecular Weight	621.8 g/mol
Topological Polar Surface Area	128.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	5
Rotatable Bonds	9
Exact Mass	620.3116
Heavy Atoms	39
Complexity	847.0

Chemical Identifiers

CAS Number	64058-81-7
SMILES	`CC12CC3CC(C1)(CC(C3)(C2)CN=C(CSSCC(=NCC45CC6CC(C4)(CC(C6)(C5)C)C)N)N)C.O.Cl.Cl`
InChIKey	`BOHHEVDLDAVFQN-UHFFFAOYSA-N`

📖 Product Overview

Compound C30H54Cl2N4OS2 (CAS: 64058-81-7) is a chemical compound with molecular formula C30H54Cl2N4OS2 and molecular weight 621.8 g/mol. Its IUPAC systematic name is 2-[[2-amino-2-[(3,5-dimethyl-1-adamantyl)methylimino]ethyl]disulfanyl]-N'-[(3,5-dimethyl-1-adamantyl)methyl]ethanimidamide;hydrate;dihydrochloride. Topological Polar Surface Area 128.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 5 Rotatable Bonds 9 Exact Mass 620.3116 Heavy Atoms 39 Complexity 847.0 InChI Key: BOHHEVDLDAVFQN-UHFFFAOYSA-N. SMILES: CC12CC3CC(C1)(CC(C3)(C2)CN=C(CSSCC(=NCC45CC6CC(C4)(CC(C6)(C5)C)C)N)N)C.O.Cl.Cl.

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