5-Phenylimino-1,2,4-dithiazol-3-amine;hydrobromide
Basic information
- CAS
57494-91-4- Standard SMILES
Br.Nc1nc(=Nc2ccccc2)ss1- InChIKey
SAEYWMSDTTXZHA-UHFFFAOYSA-N- Molecular formula
- C8H8BrN3S2
- Average molar mass
- 290.2 g/mol
- Monoisotopic mass
- 288.9343
Overview
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Names & identifiers
- Preferred name
- 5-Phenylimino-1,2,4-dithiazol-3-amine;hydrobromide
- IUPAC
- 5-phenylimino-1,2,4-dithiazol-3-amine;hydrobromide
Names & synonyms
NSC62264157494-91-4CHEMBL1972619NSC-622641
Database identifiers
- CAS
57494-91-4- PubChem CID
- 360507
- DTXSID
DTXSID20973025- ChEMBL
CHEMBL1972619
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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