Basic information
- CAS
927-30-0- Standard SMILES
CCCCCCC(C)NCCSS(=O)(=O)O- InChIKey
RURQWMNEJDOFRL-JTQLQIEISA-N- Molecular formula
- C10H23NO3S2
- Average molar mass
- 269.4 g/mol
- Monoisotopic mass
- 269.11193594
Names & identifiers
- Preferred name
- Ethanethiol, 2-(2-octyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 2-(2-sulfosulfanylethylamino)octane
- English name
- Thiosulfuric acid S-[2-[(1-methylheptyl)amino]ethyl] ester
- Molecular formula
- C10H23NO3S2
- Molecular weight
- 269.42
Names & synonyms
927-30-0Ethanethiol, 2-(2-octyl)amino-, hydrogen sulfate (ester)RefChem:1084384Thiosulfuric acid (H2S2O3), S-[2-[(1-methylheptyl)amino]ethyl] esterNSC 339144WR 1606BRN 2366090Thiosulfuric acid (H2S2O3), S-(2-((1-methylheptyl)amino)ethyl) esterThiosulfuric acid, S-(2-((1-methylheptyl)amino)ethyl) ester2-(2-Octyl)aminoethanethiol hydrogen sulfate (ester)Ethanethiol, 2-((2-octyl)amino)-, hydrogen sulfate (ester)Ethanethiol, 2-((1-methylheptyl)amino)-, hydrogen sulfate (ester)
Show more names
Thiosulfuric acid S-[2-[(1-methylheptyl)amino]ethyl] ester
WLN: WSQS2MY6&1NSC339144NSC-3391442-[(2-Octyl)amino]ethanethiol hydrogen sulfate (ester)Thiosulfuric acid (H2S2O3), S-[2-[(1-methylheptyl)amino]ethyl]- ester
Database identifiers
- CAS
927-30-0- PubChem CID
- 100653
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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