Basic information
- Standard SMILES
Br.NCCSCc1nscc1Br- InChIKey
USUHJTNMHJIVML-UHFFFAOYSA-N- Molecular formula
- C6H10Br2N2S2
- Average molar mass
- 334.1 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-3-[(2-aminoethyl)thiomethyl]isothiazole hydrobromide
- IUPAC
- 2-[(4-bromo-1,2-thiazol-3-yl)methylsulfanyl]ethanamine;hydrobromide
Names & synonyms
SCHEMBL11231335USUHJTNMHJIVML-UHFFFAOYSA-N4-bromo-3-[(2-aminoethyl)thiomethyl]isothiazole hydrobromide4-bromo-3-[(2-aminoethyl)thiomethyyl]isothiazole hydrobromide4-bromo-3-[-(2-aminoethyl)thiomethyl]isothiazole hydrobromide
Database identifiers
- PubChem CID
- 20550098
Properties
Computed structural properties
- Topological polar surface area
- 92.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 115
Related reactions
47 records
Linked notes
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