Basic information
- CAS
13269-12-0- Standard SMILES
CNC(=S)NC(C)(C)CC(C)=O- InChIKey
SPZOFKMQYDJOFU-UHFFFAOYSA-N- Molecular formula
- C8H16N2OS
- Average molar mass
- 188.29 g/mol
- Monoisotopic mass
- 188.09833431
Names & identifiers
- Preferred name
- N-Methyl-N'-(2-methyl-4-oxopentan-2-yl)thiourea
- IUPAC
- 1-methyl-3-(2-methyl-4-oxopentan-2-yl)thiourea
Names & synonyms
13269-12-0NSC508582N-Methyl-N'-(2-methyl-4-oxopentan-2-yl)thioureaDTXSID50412538NSC-508582
Database identifiers
- CAS
13269-12-0- PubChem CID
- 5240751
- DTXSID
DTXSID50412538
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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