Basic information
- CAS
6253-37-8- Standard SMILES
CCCCCCCCOC(=S)S- InChIKey
FYHQYEVHSYHJHO-UHFFFAOYSA-N- Molecular formula
- C9H18OS2
- Average molar mass
- 206.4 g/mol
- Monoisotopic mass
- 206.07990754
Names & identifiers
- Preferred name
- O-Octyl hydrogen dithiocarbonate
- IUPAC
- octoxymethanedithioic acid
- English name
- O-octyl hydrogen dithiocarbonate
- Molecular formula
- C9H19OS2
- Molecular weight
- 207.37656
Names & synonyms
O-Octyl hydrogen dithiocarbonate6253-37-8O-octyl hydrogen carbonodithioateEINECS 228-382-6SCHEMBL664655methanedithioic acid, octyloxy-TH7L62HA78CHEMBL3039712DTXSID60211574FYHQYEVHSYHJHO-UHFFFAOYSA-NCarbonodithioic acid, O-octyl esterNS00035061
Show more names
Octyl xanthateoctoxymethanedithioic acidDithiocarbonic acid O-octyl esterCarbonodithioic acid O-octyl ester
Database identifiers
- CAS
6253-37-8- PubChem CID
- 17643
- DTXSID
DTXSID60211574- ChEMBL
CHEMBL3039712- UNII
- TH7L62HA78
- EC Number
- 228-382-6
- Nikkaji
- J211.478J
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- FDA UNII
- 7 L62HA78 · TH7L62HA78
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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