Ethanethiol, 2-((2-phenylcyclopropyl)methylamino)-, hydrogen sulfate (ester) (E)-
Basic information
- CAS
78128-72-0- Standard SMILES
O=S(=O)(O)SCCNC[C@@H]1C[C@H]1c1ccccc1- InChIKey
OIZXEQZVPGEQNG-RYUDHWBXSA-N- Molecular formula
- C12H17NO3S2
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.06498575
Names & identifiers
- Preferred name
- Ethanethiol, 2-((2-phenylcyclopropyl)methylamino)-, hydrogen sulfate (ester) (E)-
- IUPAC
- [(1R,2R)-2-[(2-sulfosulfanylethylamino)methyl]cyclopropyl]benzene
- English name
- Ethanethiol, 2-((2-phenylcyclopropyl)methylamino)-, hydrogen sulfate ( ester) (E)-
- Molecular formula
- C12H17NO3S2
- Molecular weight
- 287.402
Names & synonyms
78128-72-0S-2-((trans-(2-Phenylcyclopropyl)methyl)amino)ethyl thiosulfatetrans-2-((2-Phenylcyclopropyl)methylamino)ethanethiol hydrogen sulfate (ester)Ethanethiol, 2-((2-phenylcyclopropyl)methylamino)-, hydrogen sulfate (ester) (E)-RefChem:340269DTXSID10999375S-(2-{[(2-Phenylcyclopropyl)methyl]amino}ethyl) hydrogen sulfurothioateS-[2-({[(1R,2R)-2-Phenylcyclopropyl]methyl}amino)ethyl] hydrogen sulfurothioateEthanethiol, 2-((2-phenylcyclopropyl)methylamino)-, hydrogen sulfate ( ester) (E)-
Database identifiers
- CAS
78128-72-0- PubChem CID
- 3060445
- DTXSID
DTXSID10999375
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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