1-Piperidineethanethiol, hydrogen sulfate (ester)
Basic information
- CAS
30419-75-1- Standard SMILES
O=S(=O)(O)SCCN1CCCCC1- InChIKey
ZWEULOCIMMNCSC-UHFFFAOYSA-N- Molecular formula
- C7H15NO3S2
- Average molar mass
- 225.3 g/mol
- Monoisotopic mass
- 225.04933569
Names & identifiers
- Preferred name
- 1-Piperidineethanethiol, hydrogen sulfate (ester)
- IUPAC
- 1-(2-sulfosulfanylethyl)piperidine
Names & synonyms
30419-75-1Thiosulfuric acid, S-2-piperidinoethyl ester1-Piperidineethanethiol, hydrogen sulfate (ester)NSC 149857RefChem:234355NSC149857s-[2-(piperidin-1-yl)ethyl] hydrogen sulfurothioateDTXSID80952755NSC-149857
Database identifiers
- CAS
30419-75-1- PubChem CID
- 98580
- DTXSID
DTXSID80952755- Nikkaji
- J126.018I
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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