Basic information
- CAS
5254-85-3- Standard SMILES
Cl.N=C(N)SCc1cccc2ccccc12- InChIKey
OCYPZQNUUNGIBW-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2S
- Average molar mass
- 252.76 g/mol
- Monoisotopic mass
- 252.0487973
Names & identifiers
- Preferred name
- 1-Naphthylmethyl imidothiocarbamate hydrochloride
- IUPAC
- naphthalen-1-ylmethyl carbamimidothioate;hydrochloride
Names & synonyms
1-naphthylmethyl imidothiocarbamate hydrochloride5254-85-3naphthalen-1-ylmethyl carbamimidothioate;hydrochlorideMLS000573731SMR000184579CHEMBL1487284NSC26551NSC-26551AKOS016872610Z48820058
Database identifiers
- CAS
5254-85-3- PubChem CID
- 458388
- ChEMBL
CHEMBL1487284
Properties
Computed structural properties
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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