Basic information
- CAS
21224-75-9- Standard SMILES
Cc1cccc(OCCCNCCSS(=O)(=O)O)c1- InChIKey
GMNJLZLUWHYVQH-UHFFFAOYSA-N- Molecular formula
- C12H19NO4S2
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.07555009
Names & identifiers
- Preferred name
- Ethanethiol, 2-(3-(m-tolyloxy)propyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 1-methyl-3-[3-(2-sulfosulfanylethylamino)propoxy]benzene
- English name
- 2-[3-(m-Tolyloxy)propyl]aminoethanethiol sulfate
- Molecular formula
- C12H19NO4S2
- Molecular weight
- 305.41
Names & synonyms
21224-75-9S-2-((3-(m-Tolyloxy)propyl)amino)ethyl thiosulfate2-((3-(m-Tolyloxy)propyl)amino)ethanethiol hydrogen sulfate (ester)Ethanethiol, 2-(3-(m-tolyloxy)propyl)amino-, hydrogen sulfate (ester)RefChem:340390s-(2-{[3-(3-methylphenoxy)propyl]amino}ethyl) hydrogen sulfurothioateDTXSID509436302-[3-(m-Tolyloxy)propyl]aminoethanethiol sulfateThiosulfuric acid (H2S2O3), S-[2-[[3-(3-methylphenoxy)propyl]amino]ethyl] ester
Database identifiers
- CAS
21224-75-9- PubChem CID
- 210372
- DTXSID
DTXSID50943630- Nikkaji
- J87.830H
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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