S-(N-(N-(Adamantyl-1-methyl)-2-aminoethyl)-3-aminopropyl)isothiouronium trihydrobromide

3-[2-(1-adamantylmethylamino)ethylamino]propyl carbamimidothioate;trihydrobromide

CAS: 88318-08-5

Molecular Formula	`C17H35Br3N4S`
Molecular Weight	567.3 g/mol
Topological Polar Surface Area	99.2 A2
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	4
Rotatable Bonds	10
Exact Mass	566.0112
Heavy Atoms	25
Complexity	344.0

Chemical Identifiers

CAS Number	88318-08-5
SMILES	`C1C2CC3CC1CC(C2)(C3)CNCCNCCCSC(=N)N.Br.Br.Br`
InChIKey	`VVVKVEZHNXMMBO-UHFFFAOYSA-N`

📖 Product Overview

S-(N-(N-(Adamantyl-1-methyl)-2-aminoethyl)-3-aminopropyl)isothiouronium trihydrobromide (CAS: 88318-08-5) is a chemical compound with molecular formula C17H35Br3N4S and molecular weight 567.3 g/mol. Its IUPAC systematic name is 3-[2-(1-adamantylmethylamino)ethylamino]propyl carbamimidothioate;trihydrobromide. Topological Polar Surface Area 99.2 A2 Hydrogen Bond Donors 7 Hydrogen Bond Acceptors 4 Rotatable Bonds 10 Exact Mass 566.0112 Heavy Atoms 25 Complexity 344.0 InChI Key: VVVKVEZHNXMMBO-UHFFFAOYSA-N. SMILES: C1C2CC3CC1CC(C2)(C3)CNCCNCCCSC(=N)N.Br.Br.Br.

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