Ethanethiol, 2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)-, dihydrogen phosphate (ester)
Basic information
- CAS
35412-70-5- Standard SMILES
O=P(O)(O)SCCNC12CC3CC(CC(C3)C1)C2- InChIKey
TXJLWOSEXGDUBX-UHFFFAOYSA-N- Molecular formula
- C12H22NO3PS
- Average molar mass
- 291.35 g/mol
- Monoisotopic mass
- 291.10580174
Names & identifiers
- Preferred name
- Ethanethiol, 2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)-, dihydrogen phosphate (ester)
- IUPAC
- 2-(1-adamantylamino)ethylsulfanylphosphonic acid
Names & synonyms
BRN 2859419S-(2-(Adamantyl-1-amino)ethyl)thiophosphoric acid35412-70-5Ethanethiol, 2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)-, dihydrogen phosphate (ester)DTXSID40188896RefChem:340542DTXCID00111387TXJLWOSEXGDUBX-UHFFFAOYSA-N2-[1-Adamantyl]aminoethylthiophosphateS-[2-(1-Adamantylamino)ethyl] dihydrogen thiophosphate #S-{2-[(Adamantan-1-yl)amino]ethyl} dihydrogen phosphorothioateEthanethiol, 2-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)-, dihydrogen phosphate
Database identifiers
- CAS
35412-70-5- PubChem CID
- 64305
- DTXSID
DTXSID40188896
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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