2,4,6-trimethyl-N-[(2,4,6-trimethylphenyl)sulfanylmethyl]aniline
Basic information
- CAS
6629-72-7- Standard SMILES
Cc1cc(C)c(NCSc2c(C)cc(C)cc2C)c(C)c1- InChIKey
VLXLGVGNZUAGAV-UHFFFAOYSA-N- Molecular formula
- C19H25NS
- Average molar mass
- 299.5 g/mol
- Monoisotopic mass
- 299.17077098
Names & identifiers
- Preferred name
- 2,4,6-trimethyl-N-[(2,4,6-trimethylphenyl)sulfanylmethyl]aniline
- IUPAC
- 2,4,6-trimethyl-N-[(2,4,6-trimethylphenyl)sulfanylmethyl]aniline
Names & synonyms
6629-72-7NSC579922,4,6-trimethyl-N-[(2,4,6-trimethylphenyl)sulfanylmethyl]aniline2,4,6-trimethyl-n-{[(2,4,6-trimethylphenyl)sulfanyl]methyl}anilineNCIOpen2_002402DTXSID10288892NSC-57992
Database identifiers
- CAS
6629-72-7- PubChem CID
- 245758
- DTXSID
DTXSID10288892
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…