Basic information
- Standard SMILES
Cc1nc(Cl)cc(NC(N)=S)n1- InChIKey
AOBAGFNCIUDDMJ-UHFFFAOYSA-N- Molecular formula
- C6H7ClN4S
- Average molar mass
- 202.67 g/mol
- Monoisotopic mass
- 202.0079951
Names & identifiers
- Preferred name
- (6-Chloro-2-methylpyrimidin-4-yl)thiourea
- IUPAC
- (6-chloro-2-methylpyrimidin-4-yl)thiourea
Names & synonyms
77296-31-2(6-chloro-2-methylpyrimidin-4-yl)thioureaSCHEMBL4209614AOBAGFNCIUDDMJ-UHFFFAOYSA-N1-(6-chloro-2-methylpyrimidin-4-yl)thiourea
Database identifiers
- PubChem CID
- 57562811
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 177
Related reactions
7 records
Compound notes
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