Basic information
- CAS
60282-81-7- Standard SMILES
Cc1cc(C)c(CSc2cc(N)nc(N)c2N)c(C)c1- InChIKey
CXTPFSGDANERJQ-UHFFFAOYSA-N- Molecular formula
- C15H20N4S
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.14086783
Names & identifiers
- Preferred name
- 4-{[(2,4,6-Trimethylphenyl)methyl]sulfanyl}pyridine-2,3,6-triamine
- IUPAC
- 4-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridine-2,3,6-triamine
Names & synonyms
60282-81-7NSC263167DTXSID903128064-{[(2,4,6-Trimethylphenyl)methyl]sulfanyl}pyridine-2,3,6-triamineNSC-2631672,6-Pyridinetriamine, 4-[[(2,4,6-trimethylphenyl)methyl]thio]-
Database identifiers
- CAS
60282-81-7- PubChem CID
- 319331
- DTXSID
DTXSID90312806
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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