Completing data — usually done within a minute
Basic information
- CAS
180002-24-8- Standard SMILES
Br.CC(=N)SCc1ccc2ccccc2c1- InChIKey
UQAHJGLYLURAAT-UHFFFAOYSA-N- Molecular formula
- C13H14BrNS
- Average molar mass
- 296.23 g/mol
- Monoisotopic mass
- 295.00303
Names & identifiers
- Preferred name
- 2-Naphthylmethyl ethanimidothioate hydrobromide
- IUPAC
- naphthalen-2-ylmethyl ethanimidothioate;hydrobromide
Names & synonyms
180002-24-82-naphthylmethyl ethanimidothioate hydrobromideNaphthalen-2-ylmethyl ethanimidothioate hydrobromideSCHEMBL1436967DTXSID80622789UQAHJGLYLURAAT-UHFFFAOYSA-Nthioacetimidic acid naphthalen-2-ylmethyl ester hydrobromide(Naphthalen-2-yl)methyl ethanimidothioate--hydrogen bromide (1/1)thioacetimidic acid naphthalen-2-ylmethyl ester hydrobromide salt
Database identifiers
- CAS
180002-24-8- PubChem CID
- 22138705
- DTXSID
DTXSID80622789
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Related reactions
6 records
Compound notes
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