n-(2,6-Dimethylphenyl)-2-sulfanylacetamide
Basic information
- CAS
34282-28-5- Standard SMILES
Cc1cccc(C)c1NC(=O)CS- InChIKey
SDOBXTGJZQYLIQ-UHFFFAOYSA-N- Molecular formula
- C10H13NOS
- Average molar mass
- 195.28 g/mol
- Monoisotopic mass
- 195.07178521
Names & identifiers
- Preferred name
- n-(2,6-Dimethylphenyl)-2-sulfanylacetamide
- IUPAC
- N-(2,6-dimethylphenyl)-2-sulfanylacetamide
- English name
- N1-(2,6-Dimethylphenyl)-2-mercaptoacetamide
- Molecular formula
- C10H13NOS
- Molecular weight
- 195.28
Names & synonyms
n-(2,6-dimethylphenyl)-2-sulfanylacetamide34282-28-5N1-(2,6-dimethylphenyl)-2-mercaptoacetamideNSC162708SCHEMBL5803890DTXSID60303847AKOS002310313NSC-162708ST50767531Acetamide, N-(2,6-dimethylphenyl)-2-mercapto-
Database identifiers
- CAS
34282-28-5- PubChem CID
- 294409
- DTXSID
DTXSID60303847
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 30.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 129 °C · 129 °C
- Boiling point
- 331.7 · 331.7±30.0 °C(Predicted)
- Density
- 1.154 · 1.154±0.06 g/cm3(Predicted)
- pka
- 8.2 · 8.20±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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