N-(3,4-dimethoxyphenyl)ethanethioamide
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Basic information
- CAS
107963-01-9- Standard SMILES
COc1ccc(NC(C)=S)cc1OC- InChIKey
JSJSVAPQEXRAPS-UHFFFAOYSA-N- Molecular formula
- C10H13NO2S
- Average molar mass
- 211.28 g/mol
- Monoisotopic mass
- 211.06669983
Names & identifiers
- Preferred name
- N-(3,4-dimethoxyphenyl)ethanethioamide
- IUPAC
- N-(3,4-dimethoxyphenyl)ethanethioamide
- English name
- N-(3,4-DIMETHOXYPHENYL)THIOACETAMIDE
- Molecular formula
- C10H13NO2S
- Molecular weight
- 211.28
Names & synonyms
N-(3,4-dimethoxyphenyl)ethanethioamide107963-01-9N-(3,4-Dimethoxyphenyl)thioacetamideDTXSID70354269HMS1787N18AKOS027327772HS-6547CS-0277151SR-01000025295SR-01000025295-1Z56757210Ethanethioamide, N-(3,4-dimethoxyphenyl)-
Database identifiers
- CAS
107963-01-9- PubChem CID
- 767602
- DTXSID
DTXSID70354269
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Melting point
- 114 °C · 114 °C
- Boiling point
- 296.5 · 296.5±50.0 °C(Predicted)
- Density
- 1.184 · 1.184±0.06 g/cm3(Predicted)
- pka
- 10.84 · 10.84±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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