Basic information
- CAS
338791-82-5- Standard SMILES
O=C(CSC(=S)NNc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1- InChIKey
YUBJHVMWVPECAL-UHFFFAOYSA-N- Molecular formula
- C15H10Cl2F3N3OS2
- Average molar mass
- 440.3 g/mol
- Monoisotopic mass
- 438.9594442
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-2-oxoethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-hydrazinecarbodithioate
- IUPAC
- [2-(4-chlorophenyl)-2-oxoethyl] N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]carbamodithioate
- English name
- 2-(4-CHLOROPHENYL)-2-OXOETHYL 2-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-1-HYDRAZINECARBODITHIOATE
- Molecular formula
- C15H10Cl2F3N3OS2
- Molecular weight
- 440.29
Names & synonyms
338791-82-52-(4-chlorophenyl)-2-oxoethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-hydrazinecarbodithioate[2-(4-chlorophenyl)-2-oxoethyl] N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]carbamodithioateDTXSID001115571AKOS0050975436G-0512-(4-Chlorophenyl)-2-oxoethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinecarbodithioate2-(4-Chlorophenyl)-2-oxoethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazine-1-carbodithioate2-[({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}carbamothioyl)sulfanyl]-1-(4-chlorophenyl)ethan-1-oneHydrazinecarbodithioic acid, 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-, 2-(4-chlorophenyl)-2-oxoethyl ester
Database identifiers
- CAS
338791-82-5- PubChem CID
- 3694866
- DTXSID
DTXSID001115571
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 505
Physicochemical properties
- Boiling point
- 509 · 509.0±60.0 °C(Predicted)
- Density
- 1.573 · 1.573±0.06 g/cm3(Predicted)
- pka
- 7.41 · 7.41±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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