Basic information
- CAS
6791-12-4- Standard SMILES
CC(C)COC(=S)S- InChIKey
KOVPITHBHSZRLT-UHFFFAOYSA-N- Molecular formula
- C5H10OS2
- Average molar mass
- 150.3 g/mol
- Monoisotopic mass
- 150.01730729
Overview
RN given refers to parent cpd; structure in first source
Names & identifiers
- Preferred name
- Isobutyl xanthate
- IUPAC
- 2-methylpropoxymethanedithioic acid
- English name
- isobutyl xanthate
- Molecular weight
- 0
Names & synonyms
Isobutyl xanthate6791-12-4RefChem:149107SCHEMBL4861738methanedithioic acid, isobutoxy-NS00008074Carbonodithioic acid, O-(2-methylpropyl) ester
Database identifiers
- CAS
6791-12-4- PubChem CID
- 25581
- Nikkaji
- J672.945B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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