Basic information
- CAS
314750-91-9- Standard SMILES
O=CNC(NC(=S)Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl- InChIKey
PGJJWPXICHBQCW-UHFFFAOYSA-N- Molecular formula
- C10H8Cl5N3OS
- Average molar mass
- 395.5 g/mol
- Monoisotopic mass
- 392.883072
Names & identifiers
- Preferred name
- N-(2,5-dichlorophenyl)-N'-[2,2,2-trichloro-1-(formylamino)ethyl]thiourea
- IUPAC
- N-[2,2,2-trichloro-1-[(2,5-dichlorophenyl)carbamothioylamino]ethyl]formamide
- English name
- N-(2,5-Dichlorophenyl)-N'-(2,2,2-trichloro-1-(formylamino)ethyl)thiourea
- Molecular formula
- C10H8Cl5N3OS
- Molecular weight
- 395.52
Names & synonyms
n-(2,5-dichlorophenyl)-n'-(2,2,2-trichloro-1-(formylamino)ethyl)thioureaN-(2,5-dichlorophenyl)-N'-[2,2,2-trichloro-1-(formylamino)ethyl]thioureaCBMicro_049420SCHEMBL5450536AKOS002686765BIM-0049426.P001Thiourea, N-(2,5-dichlorophenyl)-N′-[2,2,2-trichloro-1-(formylamino)ethyl]-
Database identifiers
- CAS
314750-91-9- PubChem CID
- 2887464
- EC Number
- 126-682-0
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Boiling point
- 481.457 · 481.457±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.67 · 1.670±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.107 · 8.107±0.10(predicted)
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…