Thiourea, N-phenyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)-
Basic information
- CAS
117483-22-4- Standard SMILES
CCCc1nnc(NC(=S)Nc2ccccc2)s1- InChIKey
MNESZJUUVUWRNW-UHFFFAOYSA-N- Molecular formula
- C12H14N4S2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.06598881
Names & identifiers
- Preferred name
- Thiourea, N-phenyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)-
- IUPAC
- 1-phenyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)thiourea
Names & synonyms
117483-22-4Thiourea, N-phenyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)-1-phenyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)thioureaN-phenyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)thioureaHMS2719I12Oprea1_205505MLS000688307CHEMBL1333504DTXSID30350363AKOS000620710SMR000283723ST51172361
Database identifiers
- CAS
117483-22-4- PubChem CID
- 677173
- DTXSID
DTXSID30350363- ChEMBL
CHEMBL1333504
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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