Basic information
- CAS
1190-87-0- Standard SMILES
CCCNCCSS(=O)(=O)O- InChIKey
JFTLKSYFPKTYDE-UHFFFAOYSA-N- Molecular formula
- C5H13NO3S2
- Average molar mass
- 199.3 g/mol
- Monoisotopic mass
- 199.03368562
Names & identifiers
- Preferred name
- Ethanethiol, 2-propylamino-, hydrogen sulfate (ester)
- IUPAC
- 1-(2-sulfosulfanylethylamino)propane
Names & synonyms
2-Propylaminoethanethiol hydrogen sulfate (ester)BRN 23569361190-87-0Ethanethiol, 2-propylamino-, hydrogen sulfate (ester)RefChem:340572s-[2-(propylamino)ethyl] hydrogen sulfurothioateDTXSID70922846
Database identifiers
- CAS
1190-87-0- PubChem CID
- 70925
- DTXSID
DTXSID70922846- Nikkaji
- J40.593K
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…