2-(2-Chlorophenoxy)ethanethioamide
Basic information
- CAS
35370-94-6- Standard SMILES
NC(=S)COc1ccccc1Cl- InChIKey
YVAJKXSZBMTZMX-UHFFFAOYSA-N- Molecular formula
- C8H8ClNOS
- Average molar mass
- 201.67 g/mol
- Monoisotopic mass
- 201.0015127
Names & identifiers
- Preferred name
- 2-(2-Chlorophenoxy)ethanethioamide
- IUPAC
- 2-(2-chlorophenoxy)ethanethioamide
- English name
- 2-(2-CHLOROPHENOXY)ETHANETHIOAMIDE
- Molecular formula
- C8H8ClNOS
- Molecular weight
- 201.67
Names & synonyms
2-(2-Chlorophenoxy)ethanethioamide35370-94-6DTXSID30372489RefChem:453672DTXCID20323521805-429-42-(2-Chlorophenoxy)thioacetamideMFCD000524781-amino-2-(2-chlorophenoxy)ethane-1-thioneHMS565J15Ethanethioamide,2-(2-chlorophenoxy)-Maybridge1_008485
Show more names
2-(2-CHLOROPHENOXY)THIOACETAMIDE 97%Ethanethioamide, 2-(2-chlorophenoxy)-
2-chlorophenoxy thioacetamideSCHEMBL7844164(2-Chlorophenoxy)ethanethioamideSBB092832SPB 013262-(2-Chlorophenoxy)ethanethioamide #AKOS000195444CCG-255320
Database identifiers
- CAS
35370-94-6- PubChem CID
- 2743552
- DTXSID
DTXSID30372489- EC Number
- 805-429-4
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 116 °C · 116 °C
- Boiling point
- 335.7 · 335.7±48.0 °C(Predicted)
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- pka
- 12.51 · 12.51±0.29(Predicted)
- CAS DataBase Reference
- 35370 · 35370-94-6
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 24 · 24/25-36/37
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- risk_code
- 43
- hazard_code
- Xi
- safety_code
- 24/25-36/37
Chemistry & industry
Applications
Uses2-(2-Chlorophenoxy)ethanethioamide is a useful reagent for organic synthesis.
Suppliers
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Related reactions
1 records
Compound notes
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