Basic information
- CAS
63017-82-3- Standard SMILES
CSCc1c(N)ccc2ccccc12- InChIKey
UVWOYHWPMDGELQ-UHFFFAOYSA-N- Molecular formula
- C12H13NS
- Average molar mass
- 203.31 g/mol
- Monoisotopic mass
- 203.07687059
Names & identifiers
- Preferred name
- 1-[(Methylsulfanyl)methyl]naphthalen-2-amine
- IUPAC
- 1-(methylsulfanylmethyl)naphthalen-2-amine
Names & synonyms
63017-82-31-[(Methylsulfanyl)methyl]naphthalen-2-amineDTXSID80494887
Database identifiers
- CAS
63017-82-3- PubChem CID
- 12371897
- DTXSID
DTXSID80494887
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…