Basic information
- CAS
19143-00-1- Standard SMILES
O=S(=O)(O)SCCNCCCCC1CC=CCC1- InChIKey
DRVHDTQUWCFVON-UHFFFAOYSA-N- Molecular formula
- C12H23NO3S2
- Average molar mass
- 293.5 g/mol
- Monoisotopic mass
- 293.1119356
Names & identifiers
- Preferred name
- Ethanethiol, 2-(4-(cyclohexen-3-ylbutyl)amino)-, hydrogen sulfate (ester)
- IUPAC
- 4-[4-(2-sulfosulfanylethylamino)butyl]cyclohexene
- English name
- Ethanethiol, 2-(4-(cyclohexen-3-ylbutyl)amino)-, hydrogen sulfate (est er)
- Molecular formula
- C12H23NO3S2
- Molecular weight
- 293.45
Names & synonyms
BRN 298555219143-00-1S-2-((4-Cyclohexen-3-ylbutyl)amino)ethyl thiosulfate2-((4-Cyclohexen-3-ylbutyl)amino)ethanethiol hydrogen sulfate (ester)Ethanethiol, 2-(4-(cyclohexen-3-ylbutyl)amino)-, hydrogen sulfate (ester)RefChem:3404314-[4-(2-sulfosulfanylethylamino)butyl]cyclohexenes-(2-{[4-(cyclohex-3-en-1-yl)butyl]amino}ethyl) hydrogen sulfurothioateDTXSID50940765Ethanethiol, 2-(4-(cyclohexen-3-ylbutyl)amino)-, hydrogen sulfate (est er)2-[[4-(2-Cyclohexenyl)butyl]amino]ethanethiol sulfateThiosulfuric acid (H2S2O3), S-[2-[[4-(3-cyclohexen-1-yl)butyl]amino]ethyl] ester
Database identifiers
- CAS
19143-00-1- PubChem CID
- 209059
- DTXSID
DTXSID50940765
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Density
- 1.2177 · 1.2177 (rough estimate)
- refractive index
- 1.628 · 1.6280 (estimate)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…