Basic information
- CAS
65902-11-6- Standard SMILES
CNC(=O)Sc1ccc2ccccc2c1- InChIKey
COFGGUZZRMNECK-UHFFFAOYSA-N- Molecular formula
- C12H11NOS
- Average molar mass
- 217.29 g/mol
- Monoisotopic mass
- 217.05613515
Names & identifiers
- Preferred name
- S-(2-Naphthyl) N-methylcarbamothioate
- IUPAC
- S-naphthalen-2-yl N-methylcarbamothioate
Names & synonyms
S-(2-Naphthyl) N-methylcarbamothioateSCHEMBL11764204DTXSID20984378S-Naphthalen-2-yl hydrogen methylcarbonimidothioateS-(Naphthalen-2-yl) hydrogen methylcarbonimidothioate
Database identifiers
- CAS
65902-11-6- PubChem CID
- 188043
- DTXSID
DTXSID20984378- Nikkaji
- J2.000.520C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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