Basic information
- CAS
86287-13-0- Standard SMILES
COc1ccc(SC)c2c1CC(N)CC2- InChIKey
YCSXMTWSPWKFIE-UHFFFAOYSA-N- Molecular formula
- C12H17NOS
- Average molar mass
- 223.34 g/mol
- Monoisotopic mass
- 223.10308534
Overview
RN given refers to (+-)-isomer & is given in first source; RN not in Chemline 9/28/83; structure given in first source
Names & identifiers
- Preferred name
- SK&F 89748
- IUPAC
- 8-methoxy-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amine
Names & synonyms
Skf 897488-methoxy-5-methylsulfanyl-1,2,3,4-tetrahydronaphthalen-2-amineSK&F 89748SK&F-8974886287-13-0RefChem:18330881998-18-71,2,3,4-Tetrahydro-8-methoxy-5-(methylthio)-2-naphthalenamineSK&F 89748-A8-Methoxy-5-(methylthio)-2-tetralinamineYCSXMTWSPWKFIE-UHFFFAOYSA-NGTPL511
Show more names
CHEMBL280395SCHEMBL8989387DTXSID1010066968-methoxy-5-(methylsulfanyl)-1,2,3,4-tetrahydronaphthalen-2-amineAKOS040749509CS-0064026L023962Q27088815
Database identifiers
- CAS
86287-13-0- PubChem CID
- 128805
- DTXSID
DTXSID101006696- ChEMBL
CHEMBL280395- Nikkaji
- J430.996K
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 60.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 212
Related reactions
2 records
Compound notes
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