Ethanethiol, 2-((6-cyclopentyloxy)hexyl)amino-, hydrogen sulfate (ester)
Basic information
- CAS
21209-26-7- Standard SMILES
O=S(=O)(O)SCCNCCCCCCOC1CCCC1- InChIKey
VYVMVTIASBGUMD-UHFFFAOYSA-N- Molecular formula
- C13H27NO4S2
- Average molar mass
- 325.5 g/mol
- Monoisotopic mass
- 325.13815034
Names & identifiers
- Preferred name
- Ethanethiol, 2-((6-cyclopentyloxy)hexyl)amino-, hydrogen sulfate (ester)
- IUPAC
- 6-(2-sulfosulfanylethylamino)hexoxycyclopentane
- English name
- 2-[6-(Cyclopentyloxy)hexyl]aminoethanethiol sulfate
- Molecular formula
- C13H27NO4S2
- Molecular weight
- 325.49
Names & synonyms
BRN 198936521209-26-7S-2-(((6-Cyclopentyloxy)hexyl)amino)ethyl thiosulfate2-(((6-Cyclopentyloxy)hexyl)amino)ethanethiol hydrogen sulfate (ester)Ethanethiol, 2-((6-cyclopentyloxy)hexyl)amino-, hydrogen sulfate (ester)RefChem:340319s-(2-{[6-(cyclopentyloxy)hexyl]amino}ethyl) hydrogen sulfurothioateDTXSID509435742-[6-(Cyclopentyloxy)hexyl]aminoethanethiol sulfateThioschwefelsaeure-S--esterThiosulfuric acid (H2S2O3), S-[2-[[6-(cyclopentyloxy)hexyl]amino]ethyl] ester
Database identifiers
- CAS
21209-26-7- PubChem CID
- 210298
- DTXSID
DTXSID50943574- Nikkaji
- J77.533I
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
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Compound notes
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