Basic information
- CAS
64057-58-5- Standard SMILES
C=CCSC(=S)SC(Cl)(Cl)Cl- InChIKey
YIAUQSKJQIDQQA-UHFFFAOYSA-N- Molecular formula
- C5H5Cl3S3
- Average molar mass
- 267.6 g/mol
- Monoisotopic mass
- 265.861897
Names & identifiers
- Preferred name
- Trichloromethyl allyl perthioxanthate
- IUPAC
- prop-2-enylsulfanyl(trichloromethylsulfanyl)methanethione
- English name
- Trithiocarbonic acid 2-propenyl(trichloromethyl) ester
- Molecular formula
- C5H5Cl3S3
- Molecular weight
- 267.65
Names & synonyms
Trichloromethyl allyl perthioxanthatePerthioxanthate, trichloromethyl allyl64057-58-5CARBONOTRITHIOIC ACID, 2-PROPENYLTRICHLOROMETHYL ESTERDTXSID00214206RefChem:385926DTXCID60136697Prop-2-en-1-yl trichloromethyl carbonotrithioateTrithiocarbonic acid 2-propenyltrichloromethyl esterTrithiocarbonic acid 2-propenyl(trichloromethyl) esterCarbonotrithioic acid, 2-propen-1-yl trichloromethyl ester
Database identifiers
- CAS
64057-58-5- PubChem CID
- 47079
- DTXSID
DTXSID00214206- Nikkaji
- J68.141E
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Boiling point
- 109 °C · 109°C
- Density
- 1.5364 · 1.5364 (estimate)
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 2180 mg/kg AIHAAP 30,470,69
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orl-rat: 2180 mg/kg AIHAAP 30,470,69
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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