3-[3-(1H-imidazol-1-yl)propyl]-1-phenylthiourea
Basic information
- CAS
332032-81-2- Standard SMILES
S=C(NCCCn1ccnc1)Nc1ccccc1- InChIKey
SHTFQESPDQMQDM-UHFFFAOYSA-N- Molecular formula
- C13H16N4S
- Average molar mass
- 260.36 g/mol
- Monoisotopic mass
- 260.1095677
Names & identifiers
- Preferred name
- 3-[3-(1H-imidazol-1-yl)propyl]-1-phenylthiourea
- IUPAC
- 1-(3-imidazol-1-ylpropyl)-3-phenylthiourea
Names & synonyms
332032-81-23-[3-(1H-imidazol-1-yl)propyl]-1-phenylthioureaN-[3-(1H-imidazol-1-yl)propyl]-N'-phenylthioureaST510271411-[3-(1H-imidazol-1-yl)propyl]-3-phenylthiourea1-(3-(1H-imidazol-1-yl)propyl)-3-phenylthiourea1-(3-imidazol-1-ylpropyl)-3-phenylthioureaSCHEMBL76301BDBM7898CHEMBL198290DTXSID60387147HMS1782L22
Show more names
EBC-02050STK327495AKOS001046123CL-283954DB-387475AB00102182-01EN300-26867624SR-01000225908
Database identifiers
- CAS
332032-81-2- PubChem CID
- 2882201
- DTXSID
DTXSID60387147- ChEMBL
CHEMBL198290
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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