N-(2-Aminoethyl)-N'-(2,4-dimethylphenyl)thiourea
Basic information
- CAS
52266-70-3- Standard SMILES
Cc1ccc(NC(=S)NCCN)c(C)c1- InChIKey
CTVKQMCRKXMFCX-UHFFFAOYSA-N- Molecular formula
- C11H17N3S
- Average molar mass
- 223.34 g/mol
- Monoisotopic mass
- 223.11431873
Names & identifiers
- Preferred name
- N-(2-Aminoethyl)-N'-(2,4-dimethylphenyl)thiourea
- IUPAC
- 1-(2-aminoethyl)-3-(2,4-dimethylphenyl)thiourea
Names & synonyms
52266-70-3N-(2-Aminoethyl)-N'-(2,4-dimethylphenyl)thioureaCHEMBL1185498DTXSID30505174
Database identifiers
- CAS
52266-70-3- PubChem CID
- 12635596
- DTXSID
DTXSID30505174- ChEMBL
CHEMBL1185498
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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