Phthalimide, N-(3-(3-(amidinothio)propylamino)propyl)-, dihydrobromide, hydrate

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Basic information

CAS: 31786-72-8
Standard SMILES: Br.Br.N=C(N)SCCCNCCCN1C(=O)c2ccccc2C1=O
InChIKey: VZXNJGIYNVPKMS-UHFFFAOYSA-N
Molecular formula: C15H22Br2N4O2S
Average molar mass: 482.2 g/mol
Monoisotopic mass: 479.98302

Names & identifiers

Preferred name: Phthalimide, N-(3-(3-(amidinothio)propylamino)propyl)-, dihydrobromide, hydrate
IUPAC: 3-[3-(1,3-dioxoisoindol-2-yl)propylamino]propyl carbamimidothioate;dihydrobromide

Names & synonyms

31786-72-8N-(3-(3-(Amidinothio)propylamino)propyl)phthalimide dihydrobromide, hydratePhthalimide, N-(3-(3-(amidinothio)propylamino)propyl)-, dihydrobromide, hydrateRefChem:371581DTXSID209537213-{[3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]amino}propyl carbamimidothioate--hydrogen bromide (1/2)

Database identifiers

CAS: 31786-72-8
PubChem CID: 208207
DTXSID: DTXSID20953721

Properties

Computed structural properties

Topological polar surface area: 125 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 24
Formal charge: 0
Complexity: 406

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Compound notes

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