Basic information
- CAS
89804-74-0- Standard SMILES
COc1cccc(NCCCSC)c1- InChIKey
DYKCCWDUZYXPOC-UHFFFAOYSA-N- Molecular formula
- C11H17NOS
- Average molar mass
- 211.33 g/mol
- Monoisotopic mass
- 211.10308534
Names & identifiers
- Preferred name
- 3-methoxy-N-(3-methylsulfanylpropyl)aniline
- IUPAC
- 3-methoxy-N-(3-methylsulfanylpropyl)aniline
Names & synonyms
3-methoxy-N-(3-methylsulfanylpropyl)aniline89804-74-0NSC335488DTXSID30330928NSC-335488DS-0048933-Methoxy-N-[3-(methylsulfanyl)propyl]aniline
Database identifiers
- CAS
89804-74-0- PubChem CID
- 433657
- DTXSID
DTXSID30330928
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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