Basic information
- CAS
35746-47-5- Standard SMILES
CSc1nsc(Nc2ccccc2)n1- InChIKey
PNSYEUJVQCFBHI-UHFFFAOYSA-N- Molecular formula
- C9H9N3S2
- Average molar mass
- 223.3 g/mol
- Monoisotopic mass
- 223.02378965
Names & identifiers
- Preferred name
- 3-Methylthio-5-phenylamino-1,2,4-thiadiazole
- IUPAC
- 3-methylsulfanyl-N-phenyl-1,2,4-thiadiazol-5-amine
Names & synonyms
3-Methylthio-5-phenylamino-1,2,4-thiadiazole35746-47-53-(methylsulfanyl)-n-phenyl-1,2,4-thiadiazol-5-amineNSC119959SCHEMBL14207827DTXSID60957147NSC-119959AE-484/328780643-(Methylsulfanyl)-N-phenyl-1,2,4-thiadiazol-5(2H)-imine
Database identifiers
- CAS
35746-47-5- PubChem CID
- 274149
- DTXSID
DTXSID60957147- Nikkaji
- J346.903D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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