Basic information
- CAS
5354-15-4- Standard SMILES
S=C(NCc1ccco1)Nc1ccc2ncncc2c1- InChIKey
WJJQPFJVNFWGBX-UHFFFAOYSA-N- Molecular formula
- C14H12N4OS
- Average molar mass
- 284.34 g/mol
- Monoisotopic mass
- 284.07318219
Names & identifiers
- Preferred name
- N-[(Furan-2-yl)methyl]-N'-quinazolin-6-ylthiourea
- IUPAC
- 1-(furan-2-ylmethyl)-3-quinazolin-6-ylthiourea
Names & synonyms
5354-15-4N-[(Furan-2-yl)methyl]-N'-quinazolin-6-ylthioureaDTXSID30411549N-[(Furan-2-yl)methyl]-N'-(quinazolin-6-yl)thiourea
Database identifiers
- CAS
5354-15-4- PubChem CID
- 5227765
- DTXSID
DTXSID30411549
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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