Basic information
- CAS
59814-51-6- Standard SMILES
CNC(=S)NCC(C)C- InChIKey
VYXKZXCLFLKQPF-UHFFFAOYSA-N- Molecular formula
- C6H14N2S
- Average molar mass
- 146.26 g/mol
- Monoisotopic mass
- 146.08776945
Names & identifiers
- Preferred name
- 1-Isobutyl-3-methylthiourea
- IUPAC
- 1-methyl-3-(2-methylpropyl)thiourea
Names & synonyms
1-isobutyl-3-methylthiourea59814-51-6SCHEMBL1961205DTXSID70574465VYXKZXCLFLKQPF-UHFFFAOYSA-NAKOS003718925N-Methyl-N'-(2-methylpropyl)thiourea
Database identifiers
- CAS
59814-51-6- PubChem CID
- 15568243
- DTXSID
DTXSID70574465
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 91.1
Related reactions
7 records
Compound notes
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