4-(2-Sulfosulfanylethylamino)butylcyclohexane
Basic information
- CAS
19142-98-4- Standard SMILES
O=S(=O)(O)SCCNCCCCC1CCCCC1- InChIKey
ZXQNHZRSLAQFIO-UHFFFAOYSA-N- Molecular formula
- C12H25NO3S2
- Average molar mass
- 295.5 g/mol
- Monoisotopic mass
- 295.12758601
Names & identifiers
- Preferred name
- 4-(2-Sulfosulfanylethylamino)butylcyclohexane
- IUPAC
- 4-(2-sulfosulfanylethylamino)butylcyclohexane
- English name
- 2-[(2-Cyclohexylbutyl)amino]ethanethiol sulfate
- Molecular weight
- 0
Names & synonyms
4-(2-sulfosulfanylethylamino)butylcyclohexane19142-99-5NSC-348969Ethanethiol, 2-(4-cyclohexylbutyl)amino-, hydrogen sulfate (ester)PFU5WA48H2WR-2691Thiosulfuric acid (H2S2O3), S-(2-((4-cyclohexylbutyl)amino)ethyl) esterThiosulfuric acid (H2S2O3), S-[2-[(4-cyclohexylbutyl)amino]ethyl] esterRefChem:106985519142-98-4NSC348969NSC 348969
Show more names
2-(2-Cyclohexylbutyl)aminoethanethiol sulfate
BRN 29783952-(4-Cyclohexylbutyl)aminoethanethiol sulfateS-2-((4-Cyclohexylbutyl)amino)ethyl thiosulfate2-((2-Cyclohexylbutyl)amino)ethanethiol hydrogen sulfate2-((4-Cyclohexylbutyl)amino)ethanethiol hydrogen sulfate (ester)2-[(2-Cyclohexylbutyl)amino]ethanethiol sulfateDTXSID90940764Ethanethiol, 2-((2-cyclohexylbutyl)amino)-, hydrogen sulfate
Database identifiers
- CAS
19142-98-4、19142-99-5- PubChem CID
- 100696
- DTXSID
DTXSID90940764- UNII
- PFU5WA48H2
- Nikkaji
- J77.503G
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- EWG's Food Scores
- 1 · 1
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Related reactions
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Compound notes
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