Basic information
- CAS
88313-63-7- Standard SMILES
Br.N=C(N)SCCNC(=O)CC12CC3CC(CC(C3)C1)C2- InChIKey
MYPJBFRUFVLVEQ-UHFFFAOYSA-N- Molecular formula
- C15H26BrN3OS
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 375.098
Names & identifiers
- Preferred name
- Carbamimidothioic acid, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylacetyl)amino)ethyl ester, monohydrobromide
- IUPAC
- 2-[[2-(1-adamantyl)acetyl]amino]ethyl carbamimidothioate;hydrobromide
Names & synonyms
2-((Tricyclo(3.3.1.1(sup 3,7))dec-1-ylacetyl)amino)ethyl carbamimidothioate hydrobromide88313-63-7S-(2-(2-(Adamantyl-1)-acetamido)ethyl)isothiouronium bromideCarbamimidothioic acid, 2-((tricyclo(3.3.1.1(sup 3,7))dec-1-ylacetyl)amino)ethyl ester, monohydrobromideDTXSID20236960RefChem:332769DTXCID50159451
Database identifiers
- CAS
88313-63-7- PubChem CID
- 64544
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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