Basic information
- CAS
659743-43-8- Standard SMILES
Br.N=C(Sc1ccccc1)c1cccs1- InChIKey
UMWJHZNCBMMVOU-UHFFFAOYSA-N- Molecular formula
- C11H10BrNS2
- Average molar mass
- 300.2 g/mol
- Monoisotopic mass
- 298.94380342
Names & identifiers
- Preferred name
- Thiophene-2-carboximidothioic acid phenyl ester hydrobromide
- IUPAC
- phenyl thiophene-2-carboximidothioate;hydrobromide
Names & synonyms
659743-43-8thiophene-2-carboximidothioic acid phenyl ester hydrobromideSCHEMBL1122031DTXSID10736020UMWJHZNCBMMVOU-UHFFFAOYSA-NPhenyl thiophene-2-carboximidothioate--hydrogen bromide (1/1)
Database identifiers
- CAS
659743-43-8- PubChem CID
- 66912440
- DTXSID
DTXSID10736020
Properties
Computed structural properties
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 199
Related reactions
5 records
Compound notes
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