3-Methylsulfanyl-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
Basic information
- CAS
42836-88-4- Standard SMILES
CSc1nncc(-c2cnnc(SC)n2)n1- InChIKey
ACONXJAUFMGPLM-UHFFFAOYSA-N- Molecular formula
- C8H8N6S2
- Average molar mass
- 252.3 g/mol
- Monoisotopic mass
- 252.02518663
Names & identifiers
- Preferred name
- 3-Methylsulfanyl-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
- IUPAC
- 3-methylsulfanyl-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
Names & synonyms
42836-88-43-methylsulfanyl-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine3,3'-bis(methylsulfanyl)-5,5'-bi-1,2,4-triazineNSC186766CHEMBL1255618SCHEMBL11631291DTXSID80307069NSC-186766AE-848/01008062
Database identifiers
- CAS
42836-88-4- PubChem CID
- 302402
- DTXSID
DTXSID80307069- ChEMBL
CHEMBL1255618- Nikkaji
- J1.314.899F
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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