Basic information
- CAS
35746-59-9- Standard SMILES
C=CCSc1nsc(Nc2ccccc2)n1- InChIKey
RAOUJJCDHBIDFT-UHFFFAOYSA-N- Molecular formula
- C11H11N3S2
- Average molar mass
- 249.4 g/mol
- Monoisotopic mass
- 249.03943971
Names & identifiers
- Preferred name
- N-Phenyl-3-[(prop-2-en-1-yl)sulfanyl]-1,2,4-thiadiazol-5-amine
- IUPAC
- N-phenyl-3-prop-2-enylsulfanyl-1,2,4-thiadiazol-5-amine
Names & synonyms
35746-59-9DTXSID10494916N-Phenyl-3-[(prop-2-en-1-yl)sulfanyl]-1,2,4-thiadiazol-5-amine
Database identifiers
- CAS
35746-59-9- PubChem CID
- 12372560
- DTXSID
DTXSID10494916
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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