Basic information
- CAS
1190-88-1- Standard SMILES
CCCCNCCSS(=O)(=O)O- InChIKey
HMOFROZMGLUQPI-UHFFFAOYSA-N- Molecular formula
- C6H15NO3S2
- Average molar mass
- 213.3 g/mol
- Monoisotopic mass
- 213.04933569
Names & identifiers
- Preferred name
- Ethanethiol, 2-butylamino-, hydrogen sulfate (ester)
- IUPAC
- 1-(2-sulfosulfanylethylamino)butane
- English name
- Thiosulfuric acid S-[2-(butylamino)ethyl] ester
- Molecular weight
- 0
Names & synonyms
1190-88-12-Butylaminoethanethiol hydrogen sulfate (ester)BRN 2248206Ethanethiol, 2-butylamino-, hydrogen sulfate (ester)RefChem:3405481-(2-sulfosulfanylethylamino)butanes-[2-(butylamino)ethyl] hydrogen sulfurothioateThiosulfuric acid S-[2-(butylamino)ethyl] esterDTXSID30922847
Database identifiers
- CAS
1190-88-1- PubChem CID
- 70926
- DTXSID
DTXSID30922847- Nikkaji
- J40.590F
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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