3-Propan-2-ylsulfanyl-5-(3-propan-2-ylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
Basic information
- CAS
354127-93-8- Standard SMILES
CC(C)Sc1nncc(-c2cnnc(SC(C)C)n2)n1- InChIKey
USVNJNBODYXIAS-UHFFFAOYSA-N- Molecular formula
- C12H16N6S2
- Average molar mass
- 308.4 g/mol
- Monoisotopic mass
- 308.08778688
Names & identifiers
- Preferred name
- 3-Propan-2-ylsulfanyl-5-(3-propan-2-ylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
- IUPAC
- 3-propan-2-ylsulfanyl-5-(3-propan-2-ylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
Names & synonyms
354127-93-8TCMDC-1237403-propan-2-ylsulfanyl-5-(3-propan-2-ylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine5,5'-Bi-1,2,4-triazine, 3,3'-bis[(1-methylethyl)thio]-CHEMBL581177DTXSID504233065,5'-bi[3-(isopropylsulfanyl)-1,2,4-triazine]AO-040/374090013,3'-Bis[(propan-2-yl)sulfanyl]-5,5'-bi-1,2,4-triazine
Database identifiers
- CAS
354127-93-8- PubChem CID
- 6401458
- DTXSID
DTXSID50423306- ChEMBL
CHEMBL581177- Nikkaji
- J2.555.293H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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