2-(Ethylsulfanyl)-4-methoxy-N-methylaniline
Basic information
- CAS
827026-21-1- Standard SMILES
CCSc1cc(OC)ccc1NC- InChIKey
KIWAPUYGEIGQPJ-UHFFFAOYSA-N- Molecular formula
- C10H15NOS
- Average molar mass
- 197.3 g/mol
- Monoisotopic mass
- 197.08743528
Names & identifiers
- Preferred name
- 2-(Ethylsulfanyl)-4-methoxy-N-methylaniline
- IUPAC
- 2-ethylsulfanyl-4-methoxy-N-methylaniline
Names & synonyms
827026-21-12-(Ethylsulfanyl)-4-methoxy-N-methylanilineDTXSID10837142
Database identifiers
- CAS
827026-21-1- PubChem CID
- 71417812
- DTXSID
DTXSID10837142
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 143
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Compound notes
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