Basic information
- CAS
461-08-5- Standard SMILES
FC(F)(F)SC(=S)SC(F)(F)F- InChIKey
BHLMOIFXVOEGPU-UHFFFAOYSA-N- Molecular formula
- C3F6S3
- Average molar mass
- 246.2 g/mol
- Monoisotopic mass
- 245.90663249
Names & identifiers
- Preferred name
- Carbonotrithioic acid, bis(trifluoromethyl) ester
- IUPAC
- bis(trifluoromethylsulfanyl)methanethione
- English name
- HELIOTROPYL ISO-BUTYRATE
- Molecular formula
- C3F6S3
- Molecular weight
- 246.22
Names & synonyms
Carbonotrithioic acid, bis(trifluoromethyl) ester461-08-5DTXSID20196712Carbonic acid, trithio-, bis(trifluoromethyl) esterTrithiocarbonic acid, bis(trifluoromethyl) esterRefChem:123633DTXCID60119203BHLMOIFXVOEGPU-UHFFFAOYSA-Nbis(trifluoromethylsulfanyl)methanethionebis(trifluoromethyl) carbonotrithioateCARBONOTRITHIOIC ACID BIS(TRIFLUOROMETHYL) ESTERSCHEMBL9297861
Show more names
HELIOTROPYL ISO-BUTYRATETrithiocarbonic acid bis(trifluoromethyl) ester
Bis(trifluoromethyl) trithiocarbonate #
Database identifiers
- CAS
461-08-5- PubChem CID
- 136306
- DTXSID
DTXSID20196712- Nikkaji
- J102.888J
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Boiling point
- 61 · 61-63 °C(Press: 78 Torr)
- Density
- 1.712 · 1.712±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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