Basic information
- Standard SMILES
CC(N)=Cc1nc(CCl)ns1- InChIKey
GBZJEVVKUQZVBO-UHFFFAOYSA-N- Molecular formula
- C6H8ClN3S
- Average molar mass
- 189.67 g/mol
Names & identifiers
- Preferred name
- 5-(2-Amino-1-propenyl)-3-chloromethyl-1,2,4-thiadiazole
- IUPAC
- 1-[3-(chloromethyl)-1,2,4-thiadiazol-5-yl]prop-1-en-2-amine
Names & synonyms
SCHEMBL7318112GBZJEVVKUQZVBO-UHFFFAOYSA-N5-(2-amino-1-propenyl)-3-chloromethyl-1,2,4-thiadiazole
Database identifiers
- PubChem CID
- 70054050
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 162
Related reactions
1 records
Compound notes
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