Carbamimidothioic acid, 3-((2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylmethyl)amino)ethyl)amino)propyl ester, trihydrobromide
Basic information
- CAS
88318-08-5- Standard SMILES
Br.Br.Br.N=C(N)SCCCNCCNCC12CC3CC(CC(C3)C1)C2- InChIKey
VVVKVEZHNXMMBO-UHFFFAOYSA-N- Molecular formula
- C17H35Br3N4S
- Average molar mass
- 567.3 g/mol
- Monoisotopic mass
- 564.01326
Names & identifiers
- Preferred name
- Carbamimidothioic acid, 3-((2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylmethyl)amino)ethyl)amino)propyl ester, trihydrobromide
- IUPAC
- 3-[2-(1-adamantylmethylamino)ethylamino]propyl carbamimidothioate;trihydrobromide
Names & synonyms
S-(N-(N-(Adamantyl-1-methyl)-2-aminoethyl)-3-aminopropyl)isothiouronium trihydrobromideCarbamimidothioic acid, 3-((2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylmethyl)amino)ethyl)amino)propyl ester, trihydrobromide88318-08-5DTXSID80236961RefChem:332776DTXCID10159452
Database identifiers
- CAS
88318-08-5- PubChem CID
- 64546
Properties
Computed structural properties
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 344
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Compound notes
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