Basic information
- CAS
7248-65-9- Standard SMILES
CC(=O)CC(C)(C)NC(=S)Nc1ccccc1Cl- InChIKey
ZTRHCHOQEBHWQD-UHFFFAOYSA-N- Molecular formula
- C13H17ClN2OS
- Average molar mass
- 284.81 g/mol
- Monoisotopic mass
- 284.075012
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)-3-(2-methyl-4-oxopentan-2-yl)thiourea
- IUPAC
- 1-(2-chlorophenyl)-3-(2-methyl-4-oxopentan-2-yl)thiourea
Names & synonyms
7248-65-9NSC58091-(2-chlorophenyl)-3-(2-methyl-4-oxopentan-2-yl)thioureaDTXSID00403113NSC-5809N-(2-Chlorophenyl)-N'-(2-methyl-4-oxopentan-2-yl)thiourea
Database identifiers
- CAS
7248-65-9- PubChem CID
- 4420596
- DTXSID
DTXSID00403113
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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