Basic information
- CAS
64058-80-6- Standard SMILES
Cl.Cl.NC(CSSCC(N)=NCCSC12CC3CC(CC(C3)C1)C2)=NCCSC12CC3CC(CC(C3)C1)C2.O- InChIKey
LHOVVAOKADDNJH-UHFFFAOYSA-N- Molecular formula
- C28H50Cl2N4OS4
- Average molar mass
- 657.9 g/mol
- Monoisotopic mass
- 656.2244523
Names & identifiers
- Preferred name
- Acetamidine, 2,2'-dithiobis(N-(2-(1-adamantylthio)ethyl)-, dihydrochloride, hydrate
- IUPAC
- N'-[2-(1-adamantylsulfanyl)ethyl]-2-[[2-[2-(1-adamantylsulfanyl)ethylimino]-2-aminoethyl]disulfanyl]ethanimidamide;hydrate;dihydrochloride
Names & synonyms
64058-80-6Acetamidine, 2,2'-dithiobis(N-(2-(1-adamantylthio)ethyl)-, dihydrochloride, hydrateDTXSID102142372,2'-Dithiobis(N-(2-(1-adamantylthio)ethyl)acetamidine) dihydrochloride hydrateRefChem:315627DTXCID10136728(1Z)-N'-{2-[(Adamantan-1-yl)sulfanyl]ethyl}{[(2E)-2-({2-[(adamantan-1-yl)sulfanyl]ethyl}imino)-2-aminoethyl]disulfanyl}ethanimidamide--hydrogen chloride--water (1/2/1)
Database identifiers
- CAS
64058-80-6- PubChem CID
- 64451
- DTXSID
DTXSID10214237
Properties
Computed structural properties
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 693
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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