Basic information
- CAS
1056047-38-1- Standard SMILES
Cc1ccc(C(C)C)cc1NC(N)=S- InChIKey
JMBXAEDMGWSIBT-UHFFFAOYSA-N- Molecular formula
- C11H16N2S
- Average molar mass
- 208.33 g/mol
- Monoisotopic mass
- 208.10341969
Names & identifiers
- Preferred name
- N-[2-Methyl-5-(1-methylethyl)phenyl]thiourea
- IUPAC
- (2-methyl-5-propan-2-ylphenyl)thiourea
Names & synonyms
N-[2-Methyl-5-(1-methylethyl)phenyl]thioureaSCHEMBL8295751DTXSID1012598551056047-38-1N-[2-Methyl-5-(propan-2-yl)phenyl]thiourea
Database identifiers
- CAS
1056047-38-1- PubChem CID
- 58910751
- DTXSID
DTXSID101259855
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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