Basic information
- CAS
21224-60-2- Standard SMILES
CCOc1ccc(CCCCNCCSS(=O)(=O)O)cc1- InChIKey
LDIDGFHMXGHILD-UHFFFAOYSA-N- Molecular formula
- C14H23NO4S2
- Average molar mass
- 333.5 g/mol
- Monoisotopic mass
- 333.10685022
Names & identifiers
- Preferred name
- Ethanethiol, 2-(4-(p-ethoxyphenyl)butyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 1-ethoxy-4-[4-(2-sulfosulfanylethylamino)butyl]benzene
- English name
- 2-[4-(p-Ethoxyphenyl)butyl]aminoethanethiol sulfate
- Molecular formula
- C14H23NO4S2
- Molecular weight
- 333.47
Names & synonyms
2-((4-(p-Ethoxyphenyl)butyl)amino)ethanethiol hydrogen sulfate (ester)S-2-((4-(p-Ethoxyphenyl)butyl)amino)ethyl thiosulfateEthanethiol, 2-(4-(p-ethoxyphenyl)butyl)amino-, hydrogen sulfate (ester)RefChem:34043921224-60-2s-(2-{[4-(4-ethoxyphenyl)butyl]amino}ethyl) hydrogen sulfurothioateDTXSID909436192-[4-(p-Ethoxyphenyl)butyl]aminoethanethiol sulfateThiosulfuric acid (H2S2O3), S-[2-[[4-(4-ethoxyphenyl)butyl]amino]ethyl] ester
Database identifiers
- CAS
21224-60-2- PubChem CID
- 210360
- DTXSID
DTXSID90943619- Nikkaji
- J87.749B
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Chemistry & industry
Suppliers2 total
凯莱英生命科学技术(天津)有限公司17347534561 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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