Basic information
- CAS
1190-89-2- Standard SMILES
CCCCCNCCSS(=O)(=O)O- InChIKey
HPEMBKNBNFNSLU-UHFFFAOYSA-N- Molecular formula
- C7H17NO3S2
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.06498575
Names & identifiers
- Preferred name
- Ethanethiol, 2-pentylamino-, hydrogen sulfate (ester)
- IUPAC
- 1-(2-sulfosulfanylethylamino)pentane
- English name
- Thiosulfuric acid S-[2-(pentylamino)ethyl] ester
- Molecular weight
- 0
Names & synonyms
Ethanethiol, 2-pentylamino-, hydrogen sulfate (ester)1190-89-22-Pentylaminoethanethiol hydrogen sulfate (ester)BRN 2413975DTXSID60152291RefChem:340567DTXCID80747821-(2-sulfosulfanylethylamino)pentanes-[2-(pentylamino)ethyl] hydrogen sulfurothioateThiosulfuric acid S-[2-(pentylamino)ethyl] ester
Database identifiers
- CAS
1190-89-2- PubChem CID
- 70927
- DTXSID
DTXSID60152291- Nikkaji
- J40.592B
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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