N-[2-(methylsulfanyl)phenyl]benzamide
Basic information
- CAS
51942-32-6- Standard SMILES
CSc1ccccc1NC(=O)c1ccccc1- InChIKey
CUUVYTSJOXLSAL-UHFFFAOYSA-N- Molecular formula
- C14H13NOS
- Average molar mass
- 243.33 g/mol
- Monoisotopic mass
- 243.07178521
Overview
See also: 2'-(Methylthio)benzanilide (annotation moved to).
Names & identifiers
- Preferred name
- N-[2-(methylsulfanyl)phenyl]benzamide
- IUPAC
- N-(2-methylsulfanylphenyl)benzamide
- English name
- N-[2-(methylsulfanyl)phenyl]benzamide
- Molecular formula
- C14H13NOS
- Molecular weight
- 243.32412
Names & synonyms
51942-32-6N-[2-(Methylthio)phenyl]benzamideN-(2-(methylthio)phenyl)benzamideN-[2-(methylsulfanyl)phenyl]benzamideNSC205084MLS001007030CHEMBL1869082SCHEMBL28189189DTXSID10308584N-(2-(methylthio)phenyl)benzamidHMS1768G19HMS2688A18
Show more names
2-Methioanilinebenzamide2'-(METHYLTHIO)BENZANILIDE
AKOS001088952NSC-205084SMR000384436Z26435023F2890-0002
Database identifiers
- CAS
51942-32-6- PubChem CID
- 307228
- DTXSID
DTXSID10308584- ChEMBL
CHEMBL1869082- Nikkaji
- J2.679.186C
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 251
Experimental & physicochemical properties
Solubility28.8 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Suppliers
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Related reactions
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Compound notes
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