Basic information
- CAS
21220-98-4- Standard SMILES
O=S(=O)(O)SCCNCCCC1(c2ccc(F)cc2)OCCO1- InChIKey
IEBGMYMKWUYBAD-UHFFFAOYSA-N- Molecular formula
- C14H20FNO5S2
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.07669296
Names & identifiers
- Preferred name
- Ethanethiol, 2-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 2-(4-fluorophenyl)-2-[3-(2-sulfosulfanylethylamino)propyl]-1,3-dioxolane
- English name
- 2-[3-[2-(p-Fluorophenyl)-1,3-dioxolan-2-yl]propyl]aminoethanethiol sulfate
- Molecular formula
- C14H20FNO5S2
- Molecular weight
- 365.44
Names & synonyms
21220-98-4S-2-((3-(2-(p-Fluorophenyl)-1,3-dioxolan-2-yl)propyl)amino)ethyl thiosulfateDTXSID10175455Ethanethiol, 2-(3-(2-(p-fluorophenyl)-1,3-dioxolan-2-yl)propyl)amino-, hydrogen sulfate (ester)RefChem:340373DTXCID6097946s-[2-({3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl}amino)ethyl] hydrogen sulfurothioate2-[3-[2-(p-Fluorophenyl)-1,3-dioxolan-2-yl]propyl]aminoethanethiol sulfateThiosulfuric acid (H2S2O3), S-[2-[[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]amino]ethyl] ester
Database identifiers
- CAS
21220-98-4- PubChem CID
- 210338
- DTXSID
DTXSID10175455- Nikkaji
- J87.754I
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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