Basic information
- CAS
82243-13-8- Standard SMILES
COc1ccc(C2=NNC(C)(C)S2)cc1- InChIKey
VNUFTGKNPPVCNQ-UHFFFAOYSA-N- Molecular formula
- C11H14N2OS
- Average molar mass
- 222.31 g/mol
- Monoisotopic mass
- 222.08268425
Names & identifiers
- Preferred name
- 1,3,4-Thiadiazole, 2,3-dihydro-5-(4-methoxyphenyl)-2,2-dimethyl-
- IUPAC
- 5-(4-methoxyphenyl)-2,2-dimethyl-3H-1,3,4-thiadiazole
Names & synonyms
5-(4-methoxy-phenyl)-2,2-dimethyl-2,3-dihydro-[1,3,4]thiadiazole82243-13-81,3,4-Thiadiazole, 2,3-dihydro-5-(4-methoxyphenyl)-2,2-dimethyl-SCHEMBL6265242DTXSID604698165-(4-methoxyphenyl)-2,2-dimethyl-2,3-dihydro-1,3,4-thiadiazole
Database identifiers
- CAS
82243-13-8- PubChem CID
- 11637153
- DTXSID
DTXSID60469816
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 257
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…