Basic information
- Standard SMILES
CN=C(NC#N)NCCSCc1nscc1Br- InChIKey
ZXYHXBITZQMOFJ-UHFFFAOYSA-N- Molecular formula
- C9H12BrN5S2
- Average molar mass
- 334.3 g/mol
Names & identifiers
- Preferred name
- N-cyano-N'-[2-((4-bromo-3-isothiazolyl)methylthio)ethyl]-N"-methylguanidine
- IUPAC
- 1-[2-[(4-bromo-1,2-thiazol-3-yl)methylsulfanyl]ethyl]-3-cyano-2-methylguanidine
Names & synonyms
SCHEMBL11355801SCHEMBL11355803SCHEMBL11355809ZXYHXBITZQMOFJ-UHFFFAOYSA-NN-cyano-N'-[2-((4-bromo-3-isothiazolyl)methylthio)ethyl]-N"-methylguanidine
Database identifiers
- PubChem CID
- 54571990
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Related reactions
13 records
Compound notes
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