Basic information
- CAS
38920-49-9- Standard SMILES
Cc1ccc(OCCCCNCCSS(=O)(=O)O)c(C(C)(C)C)c1- InChIKey
OEBJTLJHBPKNAJ-UHFFFAOYSA-N- Molecular formula
- C17H29NO4S2
- Average molar mass
- 375.6 g/mol
- Monoisotopic mass
- 375.15380075
Names & identifiers
- Preferred name
- Ethanethiol, 2-((4-(2-tert-butyl-p-tolyloxy)butyl)amino)-, hydrogen sulfate (ester)
- IUPAC
- 2-tert-butyl-4-methyl-1-[4-(2-sulfosulfanylethylamino)butoxy]benzene
- English name
- 2-[[4-[2-(1,1-Dimethylethyl)-4-methylphenoxy]butyl]amino]ethanethiol sulfate
- Molecular weight
- 0
Names & synonyms
BRN 248070538920-49-92-((4-(2-tert-Butyl-p-tolyloxy)butyl)amino)ethanethiol, hydrogen sulfate (ester)Ethanethiol, 2-((4-(2-tert-butyl-p-tolyloxy)butyl)amino)-, hydrogen sulfate (ester)RefChem:340289s-(2-{[4-(2-tert-butyl-4-methylphenoxy)butyl]amino}ethyl) hydrogen sulfurothioateDTXSID409597452-[[4-[2-(1,1-Dimethylethyl)-4-methylphenoxy]butyl]amino]ethanethiol sulfate
Database identifiers
- CAS
38920-49-9- PubChem CID
- 217516
- DTXSID
DTXSID40959745- Nikkaji
- J43.017J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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