Basic information
- CAS
5430-53-5- Standard SMILES
NC(=O)SCC(=O)Nc1cccc2ccccc12- InChIKey
WIEHBFPIPIMVEK-UHFFFAOYSA-N- Molecular formula
- C13H12N2O2S
- Average molar mass
- 260.31 g/mol
- Monoisotopic mass
- 260.0619488
Names & identifiers
- Preferred name
- s-[2-(Naphthalen-1-ylamino)-2-oxoethyl] carbamothioate
- IUPAC
- S-[2-(naphthalen-1-ylamino)-2-oxoethyl] carbamothioate
Names & synonyms
5430-53-5s-[2-(naphthalen-1-ylamino)-2-oxoethyl] carbamothioateNSC13810DTXSID70279721NSC-13810S-{2-[(Naphthalen-1-yl)amino]-2-oxoethyl} carbamothioate
Database identifiers
- CAS
5430-53-5- PubChem CID
- 224944
- DTXSID
DTXSID70279721
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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