Acetamidine, 2,2'-dithiobis(N-(2-cycloheptyl)ethyl-, dihydrochloride
Basic information
- CAS
40284-20-6- Standard SMILES
NC(CSSCC(N)=[NH+]CCC1CCCCCC1)=[NH+]CCC1CCCCCC1.[Cl-].[Cl-]- InChIKey
YMUSDEONEHBNSI-UHFFFAOYSA-N- Molecular formula
- C22H44Cl2N4S2
- Average molar mass
- 499.6 g/mol
- Monoisotopic mass
- 498.2384452
Names & identifiers
- Preferred name
- Acetamidine, 2,2'-dithiobis(N-(2-cycloheptyl)ethyl-, dihydrochloride
- IUPAC
- [1-amino-2-[[2-amino-2-(2-cycloheptylethylazaniumylidene)ethyl]disulfanyl]ethylidene]-(2-cycloheptylethyl)azanium dichloride
Names & synonyms
2,2'-Dithiobis(N-(2-cycloheptyl)ethylacetamidine) dihydrochloride40284-20-6ACETAMIDINE, 2,2'-DITHIOBIS(N-(2-CYCLOHEPTYL)ETHYL-, DIHYDROCHLORIDERefChem:315628
Database identifiers
- CAS
40284-20-6- PubChem CID
- 38431
Properties
Computed structural properties
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 409
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