S-Ethyl hydrogen naphthalen-1-ylcarbonimidothioate
Basic information
- CAS
6961-70-2- Standard SMILES
CCSC(=O)Nc1cccc2ccccc12- InChIKey
ISAATXSWQKLMLK-UHFFFAOYSA-N- Molecular formula
- C13H13NOS
- Average molar mass
- 231.32 g/mol
- Monoisotopic mass
- 231.07178521
Names & identifiers
- Preferred name
- S-Ethyl hydrogen naphthalen-1-ylcarbonimidothioate
- IUPAC
- S-ethyl N-naphthalen-1-ylcarbamothioate
Names & synonyms
6961-70-2NSC62745NCIOpen2_002579S-Ethyl hydrogen naphthalen-1-ylcarbonimidothioateDTXSID60989706NSC-62745
Database identifiers
- CAS
6961-70-2- PubChem CID
- 247689
- DTXSID
DTXSID60989706
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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