Basic information
- CAS
37018-52-3- Standard SMILES
Br.Br.N=C(N)SCCNC12CC3CC(CC(C3)C1)C2- InChIKey
KBPKLGXJWWCUPE-UHFFFAOYSA-N- Molecular formula
- C13H25Br2N3S
- Average molar mass
- 415.23 g/mol
- Monoisotopic mass
- 413.01359
Names & identifiers
- Preferred name
- Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide
- IUPAC
- 2-(1-adamantylamino)ethyl carbamimidothioate;dihydrobromide
Names & synonyms
Pseudourea, 2-(2-(1-adamantyl)aminoethyl)thio-, dihydrobromide37018-52-32-(2-(1-Adamantyl)aminoethyl)thiopseudourea dihydrobromideDTXSID60190517Carbamimidothioic acid, 2-(tricyclo(3.3.1.13,7)dec-1-ylamino)ethyl ester, dihydrobromideRefChem:375710DTXCID00113008Pseudourea, 2-[2-(1-adamantylamino)ethyl]-2-thio-, dihydrobromide2-[(Adamantan-1-yl)amino]ethyl carbamimidothioate--hydrogen bromide (1/2)
Database identifiers
- CAS
37018-52-3- PubChem CID
- 64313
- DTXSID
DTXSID60190517
Properties
Computed structural properties
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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