Basic information
- CAS
21208-89-9- Standard SMILES
O=S(=O)(O)SCCNCC1CCCCC1- InChIKey
ZFSVKFAPEAQCQG-UHFFFAOYSA-N- Molecular formula
- C9H19NO3S2
- Average molar mass
- 253.4 g/mol
- Monoisotopic mass
- 253.08063582
Names & identifiers
- Preferred name
- Ethanethiol, 2-(cyclohexylmethyl)amino-, hydrogen sulfate (ester)
- IUPAC
- (2-sulfosulfanylethylamino)methylcyclohexane
Names & synonyms
Ethanethiol, 2-(cyclohexylmethyl)amino-, hydrogen sulfate (ester)21208-89-9S-2-((Cyclohexylmethyl)amino)ethyl thiosulfate2-((Cyclohexylmethyl)amino)ethanethiol hydrogen sulfate (ester)DTXSID70175431RefChem:340530DTXCID8097922s-{2-[(cyclohexylmethyl)amino]ethyl} hydrogen sulfurothioate
Database identifiers
- CAS
21208-89-9- PubChem CID
- 210271
- DTXSID
DTXSID70175431- Nikkaji
- J77.511H
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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