Basic information
- CAS
123-97-7- Standard SMILES
CCCCCOC(=S)S- InChIKey
QWENMOXLTHDKDL-UHFFFAOYSA-N- Molecular formula
- C6H12OS2
- Average molar mass
- 164.3 g/mol
- Monoisotopic mass
- 164.03295735
Overview
decreases norepinephrine & epinephrine content in chromaffin tissue of rainbow trout; RN given refers to parent cpd
Names & identifiers
- Preferred name
- Amylxanthane
- IUPAC
- pentoxymethanedithioic acid
- English name
- amylxanthane
- Molecular formula
- C6H12OS2
- Molecular weight
- 164.29
Names & synonyms
AmylxanthanePentylxanthane123-97-7DTXSID40153827RefChem:112405DTXCID2076318pentoxymethanedithioic acidNSC1118Potassium O-pentyl dithiocarbonateCarbonodithioic acid, O-pentyl esterSCHEMBL665220CHEMBL3039653
Show more names
Amyl xanthateDithiocarbonic acid O-amyl ester
methanedithioic acid, pentyloxy-SCHEMBL10851189O-Pentyl hydrogen dithiocarbonateO-PentylS-hydrogencarbonodithioateO-pentyl hydrogen carbonodithioateO-Pentyl S-hydrogen carbonodithioateNS00005574
Database identifiers
- CAS
123-97-7、2720-73-2- PubChem CID
- 17635
- DTXSID
DTXSID40153827- ChEMBL
CHEMBL3039653- Nikkaji
- J366.439B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83.1
Physicochemical properties
- Melting point
- 131 °C · 131 °C (decomp)
- Boiling point
- 190.7 · 190.7±23.0 °C(Predicted)
- Density
- 1.073 · 1.073±0.06 g/cm3(Predicted)
- pka
- 2.97 · 2.97±0.63(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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