Ethanethiol, 2-cyclododecylamino-, hydrogen sulfate (ester)
Basic information
- CAS
37018-33-0- Standard SMILES
O=S(=O)(O)SCCNC1CCCCCCCCCCC1- InChIKey
ZGSIHLYVXVPDJK-UHFFFAOYSA-N- Molecular formula
- C14H29NO3S2
- Average molar mass
- 323.5 g/mol
- Monoisotopic mass
- 323.15888613
Names & identifiers
- Preferred name
- Ethanethiol, 2-cyclododecylamino-, hydrogen sulfate (ester)
- IUPAC
- (2-sulfosulfanylethylamino)cyclododecane
- English name
- Thiosulfuric acid S-[2-(cyclododecylamino)ethyl] ester
- Molecular weight
- 0
Names & synonyms
37018-33-02-Cyclododecylaminoethanethiol hydrogen sulfate (ester)BRN 2859692Ethanethiol, 2-cyclododecylamino-, hydrogen sulfate (ester)RefChem:340549s-[2-(cyclododecylamino)ethyl] hydrogen sulfurothioateDTXSID20958195ZGSIHLYVXVPDJK-UHFFFAOYSA-N2-Cyclododecylaminoethanethiol hydrogen sulfateS-2-[Cylcododecylamino]ethyl hydrogen thiosulfateEthanethiol, 2-cyclododecylamino-, hydrogen sulfateS-[2-(Cyclododecylamino)ethyl] hydrogen thiosulfate #
Show more names
Thiosulfuric acid S-[2-(cyclododecylamino)ethyl] ester
Database identifiers
- CAS
37018-33-0- PubChem CID
- 216043
- DTXSID
DTXSID20958195- Nikkaji
- J53.956B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 316
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Related reactions
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Compound notes
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