Basic information
- CAS
110-50-9- Standard SMILES
CCCCOC(=S)S- InChIKey
TUZCOAQWCRRVIP-UHFFFAOYSA-N- Molecular formula
- C5H10OS2
- Average molar mass
- 150.3 g/mol
- Monoisotopic mass
- 150.01730729
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- O-Butyl hydrogen carbonodithioate
- IUPAC
- butoxymethanedithioic acid
- English name
- butylxanthate
- Molecular formula
- C5H10OS2
- Molecular weight
- 150.26
Names & synonyms
ButylxanthateCarbonodithioic acid, O-butyl ester110-50-9BUTYL XANTHATEO-butyl hydrogen carbonodithioateDTXSID20861812RefChem:928038DTXCID80197487butoxymethanedithioic acidButyl xanthogenatebutylxanthic acidmethanedithioic acid, butoxy-
Show more names
butyl xanthic acidTUZCOAQWCRRVIP-UHFFFAOYSA-N
SCHEMBL135628SCHEMBL10849187AKOS034831676
Database identifiers
- CAS
110-50-9- PubChem CID
- 8055
- DTXSID
DTXSID20861812- Nikkaji
- J661.116H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 72.8
Physicochemical properties
- Boiling point
- 168.6 · 168.6±23.0 °C(Predicted)
- Density
- 1.101 · 1.101±0.06 g/cm3(Predicted)
- pka
- 3.06 · 3.06±0.63(Predicted)
- EPA Substance Registry System
- Carbonodithioic acid, O-butyl ester (110-50-9)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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