Acetamidine, 2,2'-dithiobis(N-(p-tert-butylthio)phenethyl-, dihydrochloride

HCID 38435

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Basic information

CAS: 40284-25-1
Standard SMILES: CC(C)(C)Sc1ccc(CC[NH+]=C(N)CSSCC(N)=[NH+]CCc2ccc(SC(C)(C)C)cc2)cc1.[Cl-].[Cl-]
InChIKey: PGHIRTGWEUBCPY-UHFFFAOYSA-N
Molecular formula: C28H44Cl2N4S4
Average molar mass: 635.8 g/mol
Monoisotopic mass: 634.1825875

Names & identifiers

Preferred name: Acetamidine, 2,2'-dithiobis(N-(p-tert-butylthio)phenethyl-, dihydrochloride
IUPAC: [1-amino-2-[[2-amino-2-[2-(4-tert-butylsulfanylphenyl)ethylazaniumylidene]ethyl]disulfanyl]ethylidene]-[2-(4-tert-butylsulfanylphenyl)ethyl]azanium dichloride

Names & synonyms

2,2'-Dithiobis(N-(p-tert-butylthio)phenethylacetamidine) dihydrochloride40284-25-1ACETAMIDINE, 2,2'-DITHIOBIS(N-(p-tert-BUTYLTHIO)PHENETHYL-, DIHYDROCHLORIDERefChem:315632

Database identifiers

CAS: 40284-25-1
PubChem CID: 38435

Properties

Computed structural properties

Topological polar surface area: 181 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 15
Heavy atoms: 38
Formal charge: 0
Complexity: 610

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