Basic information
- CAS
65183-01-9- Standard SMILES
CC(=S)Nc1cccc(Cl)c1Cl- InChIKey
FFFBLAYMZIHILM-UHFFFAOYSA-N- Molecular formula
- C8H7Cl2NS
- Average molar mass
- 220.12 g/mol
- Monoisotopic mass
- 218.9676258
Names & identifiers
- Preferred name
- N-(2,3-Dichlorophenyl)ethanethioamide
- IUPAC
- N-(2,3-dichlorophenyl)ethanethioamide
- English name
- 2-(2,3-DICHLOROPHENYL)THIOACETAMIDE
- Molecular formula
- C8H7Cl2NS
- Molecular weight
- 220.12
Names & synonyms
n-(2,3-dichlorophenyl)ethanethioamide65183-01-9DTXSID40495214RefChem:360073DTXCID40446024SCHEMBL3606616DS-0175822-(2,3-DICHLOROPHENYL)THIOACETAMIDEEthanethioamide, N-(2,3-dichlorophenyl)-2-(2,3-Dichlorophenyl)thioacetamide, 97%,
Database identifiers
- CAS
65183-01-9- PubChem CID
- 12377675
- DTXSID
DTXSID40495214
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 162 · 162-166℃
- Boiling point
- 283.594 · 283.594±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.427 · 1.427±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.352 · 8.352±0.10(predicted)
- CAS DataBase Reference
- 65183 · 65183-01-9
- Symbol(GHS)
- 6 · GHS06
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
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
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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