Pseudourea, 2-(4-phthalimidobutyl)-2-thio-, hydrobromide
Basic information
- CAS
14122-46-4- Standard SMILES
Br.N=C(N)SCCCCN1C(=O)c2ccccc2C1=O- InChIKey
WQGHDCNSCAPODD-UHFFFAOYSA-N- Molecular formula
- C13H16BrN3O2S
- Average molar mass
- 358.26 g/mol
- Monoisotopic mass
- 357.01466
Names & identifiers
- Preferred name
- Pseudourea, 2-(4-phthalimidobutyl)-2-thio-, hydrobromide
- IUPAC
- 4-(1,3-dioxoisoindol-2-yl)butyl carbamimidothioate;hydrobromide
Names & synonyms
Pseudourea, 2-(4-phthalimidobutyl)-2-thio-, hydrobromide2-(4-Phthalimidobutyl)-2-thiopseudourea hydrobromide14122-46-4DTXSID40161609RefChem:375748DTXCID90841004-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)butyl carbamimidothioate--hydrogen bromide (1/1)
Database identifiers
- CAS
14122-46-4- PubChem CID
- 203299
- DTXSID
DTXSID40161609
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 362
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Compound notes
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