Basic information
- CAS
60722-70-5- Standard SMILES
Nc1ccnc(SCc2ccccc2)n1- InChIKey
JLCHIORNNYBWFD-UHFFFAOYSA-N- Molecular formula
- C11H11N3S
- Average molar mass
- 217.29 g/mol
- Monoisotopic mass
- 217.06736854
Names & identifiers
- Preferred name
- 2-(Benzylsulfanyl)pyrimidin-4-amine
- IUPAC
- 2-benzylsulfanylpyrimidin-4-amine
Names & synonyms
60722-70-52-(Benzylsulfanyl)pyrimidin-4-amineNSC210406SCHEMBL6640402CHEMBL3273654DTXSID70308929NSC-210406
Database identifiers
- CAS
60722-70-5- PubChem CID
- 308583
- DTXSID
DTXSID70308929- ChEMBL
CHEMBL3273654
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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