Ethanethiol, 2-(5-phthalimidopentylamino)-, hydrogen phosphate (ester)
Basic information
- CAS
31786-66-0- Standard SMILES
O=C1c2ccccc2C(=O)N1CCCCCNCCSP(=O)(O)O- InChIKey
BWIITHSPBIWMQL-UHFFFAOYSA-N- Molecular formula
- C15H21N2O5PS
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.09087995
Names & identifiers
- Preferred name
- Ethanethiol, 2-(5-phthalimidopentylamino)-, hydrogen phosphate (ester)
- IUPAC
- 2-[5-(1,3-dioxoisoindol-2-yl)pentylamino]ethylsulfanylphosphonic acid
Names & synonyms
BRN 1500674Ethanethiol, 2-(5-phthalimidopentylamino)-, hydrogen phosphate (ester)2-(5-Phthalimidopentylamino)ethanethiol hydrogen phosphate (ester)31786-66-0DTXSID70185656N-(5-(2-Mercaptoethylamino)pentyl)phthalimide hydrogen phosphate (ester)Phthalimide, N-(5-(2-mercaptoethylamino)pentyl)-, hydrogen phosphate (ester)RefChem:340500DTXCID10108147s-(2-{[5-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)pentyl]amino}ethyl) dihydrogen phosphorothioate
Database identifiers
- CAS
31786-66-0- PubChem CID
- 208205
- DTXSID
DTXSID70185656- Nikkaji
- J87.815D
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 474
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Compound notes
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