N-methyl-3-(methylsulfanyl)aniline
Basic information
- CAS
52960-99-3- Standard SMILES
CNc1cccc(SC)c1- InChIKey
HCBMXZNWPDLTKP-UHFFFAOYSA-N- Molecular formula
- C8H11NS
- Average molar mass
- 153.25 g/mol
- Monoisotopic mass
- 153.06122053
Names & identifiers
- Preferred name
- N-methyl-3-(methylsulfanyl)aniline
- IUPAC
- N-methyl-3-methylsulfanylaniline
Names & synonyms
N-methyl-3-(methylsulfanyl)aniline52960-99-3N-methyl-3-methylsulfanylanilinemethyl(3-methylthiophenyl)amineN-Methyl-3-(methylthio)anilineN-methyl-N-[3-(methylsulfanyl)phenyl]amineSCHEMBL1636986SCHEMBL2317686SCHEMBL7050266DTXSID50571533N-methyl-3-methylsulfanyl-anilineCCA96099
Show more names
SBB086942AKOS000251451AT20859CS-0216891EN300-64303AR-527/43405045Z335253758
Database identifiers
- CAS
52960-99-3- PubChem CID
- 15326005
- DTXSID
DTXSID50571533- Nikkaji
- J1.492.233D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95.3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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