4,5,5-Trimethyl-N-phenyl-4,5-dihydro-1,3,4-thiadiazol-2-amine
Basic information
- CAS
87976-08-7- Standard SMILES
CN1NC(=Nc2ccccc2)SC1(C)C- InChIKey
ACRNHQHSJJDOCN-UHFFFAOYSA-N- Molecular formula
- C11H15N3S
- Average molar mass
- 221.32 g/mol
- Monoisotopic mass
- 221.09866866
Names & identifiers
- Preferred name
- 4,5,5-Trimethyl-N-phenyl-4,5-dihydro-1,3,4-thiadiazol-2-amine
- IUPAC
- 4,5,5-trimethyl-N-phenyl-1,3,4-thiadiazolidin-2-imine
Names & synonyms
87976-08-7DTXSID505200264,5,5-Trimethyl-N-phenyl-4,5-dihydro-1,3,4-thiadiazol-2-amine
Database identifiers
- CAS
87976-08-7- PubChem CID
- 136258107
- DTXSID
DTXSID50520026
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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