N-(4-methoxyphenyl)-2-sulfanylacetamide
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Basic information
- CAS
34282-29-6- Standard SMILES
COc1ccc(NC(=O)CS)cc1- InChIKey
NIVCBNLRTZSKJW-UHFFFAOYSA-N- Molecular formula
- C9H11NO2S
- Average molar mass
- 197.26 g/mol
- Monoisotopic mass
- 197.05104977
Names & identifiers
- Preferred name
- N-(4-methoxyphenyl)-2-sulfanylacetamide
- IUPAC
- N-(4-methoxyphenyl)-2-sulfanylacetamide
- English name
- N1-(4-METHOXYPHENYL)-2-MERCAPTOACETAMIDE
- Molecular formula
- C9H11NO2S
- Molecular weight
- 197.25
Names & synonyms
34282-29-6N-(4-methoxyphenyl)-2-sulfanylacetamideDTXSID80351961RefChem:362086DTXCID403030272-mercapto-N-(4-methoxyphenyl)acetamideAcetamide,2-mercapto-N-(4-methoxyphenyl)-N1-(4-methoxyphenyl)-2-mercaptoacetamideCHEMBL5189927SCHEMBL8243910BDBM50590260AKOS002247072
Show more names
AURORA 15233Acetamide, 2-mercapto-N-(4-methoxyphenyl)-
DB-017593ST50198764F3048-0160
Database identifiers
- CAS
34282-29-6- PubChem CID
- 715342
- DTXSID
DTXSID80351961- ChEMBL
CHEMBL5189927- Nikkaji
- J1.060.725F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 39.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 118 °C · 118 °C
- Boiling point
- 393.9 · 393.9±27.0 °C(Predicted)
- Density
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- pka
- 8.23 · 8.23±0.10(Predicted)
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Related reactions
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Compound notes
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