Basic information
- CAS
6253-38-9- Standard SMILES
CCCOC(=S)S- InChIKey
SSFPHCKFUBEAKZ-UHFFFAOYSA-N- Molecular formula
- C4H8OS2
- Average molar mass
- 136.2 g/mol
- Monoisotopic mass
- 136.00165722
Overview
RN given refers to parent cpd; structure given in first source
Names & identifiers
- Preferred name
- Propylxanthogenate
- IUPAC
- propoxymethanedithioic acid
- English name
- propylxanthogenate
- Molecular formula
- C4H8OS2
- Molecular weight
- 136.24
Names & synonyms
Propylxanthogenate6253-38-997BQX7HX32DTXSID20211575RefChem:930069DTXCID50134066propylxanthic acidCarbonodithioic acid, O-propyl esterpropoxymethanedithioic acidUNII-97BQX7HX32SCHEMBL35692methanedithioic acid, propoxy-
Show more names
SCHEMBL10458278O-Propyl hydrogen carbonodithioateSSFPHCKFUBEAKZ-UHFFFAOYSA-NQ27272000
Database identifiers
- CAS
6253-38-9- PubChem CID
- 17633
- DTXSID
DTXSID20211575- UNII
- 97BQX7HX32
- Nikkaji
- J1.095.324C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 62.7
Physicochemical properties
- FDA UNII
- 97 BQX7HX32 · 97BQX7HX32
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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