Basic information
- CAS
30863-82-2- Standard SMILES
c1ccc(Sc2nc(Sc3ccccc3)nc(Sc3ccccc3)n2)cc1- InChIKey
KHXOAKYTMQGYHW-UHFFFAOYSA-N- Molecular formula
- C21H15N3S3
- Average molar mass
- 405.6 g/mol
- Monoisotopic mass
- 405.04281101
Names & identifiers
- Preferred name
- 2,4,6-Tris(phenylsulfanyl)-1,3,5-triazine
- IUPAC
- 2,4,6-tris(phenylsulfanyl)-1,3,5-triazine
Names & synonyms
2,4,6-tris(phenylsulfanyl)-1,3,5-triazine30863-82-2DTXSID80275335RefChem:245936DTXCID402267822,4,6-tris-phenylsulfanyl-[1,3,5]triazineNSC669394CHEMBL1998443NSC-669394NCI60_024209AE-641/10393024
Database identifiers
- CAS
30863-82-2- PubChem CID
- 35592
- DTXSID
DTXSID80275335- ChEMBL
CHEMBL1998443- Nikkaji
- J1.615.332J
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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