Basic information
- Standard SMILES
Cc1csc(NC(=S)Nc2cc(Cl)ccc2C)n1- InChIKey
LUPSDKQIUBRPQW-UHFFFAOYSA-N- Molecular formula
- C12H12ClN3S2
- Average molar mass
- 297.8 g/mol
- Monoisotopic mass
- 297.0161174
Names & identifiers
- Preferred name
- 1-(5-Chloro-2-methyl-phenyl)-3-(4-methyl-thiazol-2-yl)-thiourea
- IUPAC
- 1-(5-chloro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)thiourea
Names & synonyms
SCHEMBL6496178LUPSDKQIUBRPQW-UHFFFAOYSA-N1-(5-Chloro-2-methyl-phenyl)-3-(4-methyl-thiazol-2-yl)-thiourea
Database identifiers
- PubChem CID
- 9835872
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Related reactions
3 records
Compound notes
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