Basic information
- CAS
38914-75-9- Standard SMILES
COc1ccc(CCCCNCC(C)SS(=O)(=O)O)cc1- InChIKey
WJUXSWORFADQNG-UHFFFAOYSA-N- Molecular formula
- C14H23NO4S2
- Average molar mass
- 333.5 g/mol
- Monoisotopic mass
- 333.10685056
Names & identifiers
- Preferred name
- Ethanethiol, 2-(4-(p-methoxyphenyl)butyl)amino-1-methyl-, hydrogen thiosulfate
- IUPAC
- 1-methoxy-4-[4-(2-sulfosulfanylpropylamino)butyl]benzene
- English name
- Ethanethiol, 2-(4-(p-methoxyphenyl)butyl)amino-1-methyl-, hydrogen thi osulfate
- Molecular formula
- C14H23NO4S2
- Molecular weight
- 333.47
Names & synonyms
BRN 299327538914-75-9Ethanethiol, 2-(4-(p-methoxyphenyl)butyl)amino-1-methyl-, hydrogen thiosulfateThiosulfuric acid S-[2-[[4-[p-methoxyphenyl]butyl]amino]-1-methylethyl esterThiosulfuric acid S-(2-((4-(p-methoxyphenyl)butyl)amino)-1-methylethyl esterRefChem:340446WJUXSWORFADQNG-UHFFFAOYSA-NS-(2-((4-(p-Methoxyphenyl)butyl)amino)ethyl-1-methyl) hydrogen thiosulfates-(1-{[4-(4-methoxyphenyl)butyl]amino}propan-2-yl) hydrogen sulfurothioateDTXSID10959696S-(2-([4-(4-Methoxyphenyl)butyl]amino)-1-methylethyl) hydrogen thiosulfate #Ethanethiol, 2-(4-(p-methoxyphenyl)butyl)amino-1-methyl-, hydrogen thi osulfate
Show more names
Thiosulfuric acid hydrogen S-[2-[[4-(4-methoxyphenyl)butyl]amino]-1-methylethyl] ester
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Density
- 1.233 · 1.233±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -4.417 · -4.417±0.30(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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