Basic information
- Standard SMILES
Clc1nc(Cc2ccccc2)ns1- InChIKey
PUGFKQSEHPLELH-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2S
- Average molar mass
- 210.68 g/mol
Names & identifiers
- Preferred name
- 3-Benzyl-5-chloro-1,2,4-thiadiazole
- IUPAC
- 3-benzyl-5-chloro-1,2,4-thiadiazole
Names & synonyms
3-Benzyl-5-chloro-1,2,4-thiadiazole99067-57-9MFCD147073251,2,4-Thiadiazole, 5-chloro-3-(phenylmethyl)-SCHEMBL1021419PUGFKQSEHPLELH-UHFFFAOYSA-NZDA06757AKOS0146032943-Benzyl-5-chloro-[1,2,4]thiadiazoleDA-20402EN300-761194G22206
Database identifiers
- PubChem CID
- 14763521
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 162
Related reactions
3 records
Compound notes
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