Basic information
- CAS
4956-08-5- Standard SMILES
CCCCCCSC1N=NC(=O)NC1=O- InChIKey
FEUAZRCTHMGLEO-UHFFFAOYSA-N- Molecular formula
- C9H15N3O2S
- Average molar mass
- 229.3 g/mol
- Monoisotopic mass
- 229.0884979
Names & identifiers
- Preferred name
- as-Triazine-3,5(2H,4H)-dione, 6-(hexylthio)-
- IUPAC
- 6-hexylsulfanyl-6H-1,2,4-triazine-3,5-dione
Names & synonyms
5-Hexylthio-6-azauracilNSC 107687BRN 08844946-(Hexylthio)-as-triazine-3,5(2H,4H)-dioneas-Triazine-3,5(2H,4H)-dione, 6-(hexylthio)-RefChem:3201954956-08-5
Database identifiers
- CAS
4956-08-5- PubChem CID
- 97243
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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