Basic information
- CAS
1089-24-3- Standard SMILES
CCCCSc1ccc(Nc2ncnc(N)n2)cc1- InChIKey
STFCGNMGWWNZMW-UHFFFAOYSA-N- Molecular formula
- C13H17N5S
- Average molar mass
- 275.38 g/mol
- Monoisotopic mass
- 275.12046674
Names & identifiers
- Preferred name
- 2-N-(4-butylsulfanylphenyl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 2-N-(4-butylsulfanylphenyl)-1,3,5-triazine-2,4-diamine
Names & synonyms
1089-24-3NSC197562-N-(4-butylsulfanylphenyl)-1,3,5-triazine-2,4-diamineDTXSID40281018NSC-19756DS-0082831,3,5-Triazine-2,4-diamine,n2-[4-(butylthio)phenyl]-N~2~-[4-(Butylsulfanyl)phenyl]-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
1089-24-3- PubChem CID
- 227751
- DTXSID
DTXSID40281018
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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