Basic information
- CAS
105-47-5- Standard SMILES
CCC(C)OC(=S)S- InChIKey
WQIPONAWDJJUPQ-UHFFFAOYSA-N- Molecular formula
- C5H10OS2
- Average molar mass
- 150.3 g/mol
- Monoisotopic mass
- 150.01730729
Names & identifiers
- Preferred name
- Ethyl xanthogenic acid
- IUPAC
- butan-2-yloxymethanedithioic acid
Names & synonyms
ethyl xanthogenic acidSCHEMBL10661929DTXSID70865825methanedithioic acid, sec-butoxy-O-(Butan-2-yl) hydrogen carbonodithioateO-(1-Methylpropyl) hydrogen carbonodithioate105-47-5
Database identifiers
- CAS
105-47-5- PubChem CID
- 8867
- DTXSID
DTXSID70865825
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
- 82.5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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