Basic information
- CAS
4956-07-4- Standard SMILES
O=c1[nH]nc(SCc2ccccc2)c(=O)[nH]1- InChIKey
OIJCGUQZJJNSLM-UHFFFAOYSA-N- Molecular formula
- C10H9N3O2S
- Average molar mass
- 235.26 g/mol
- Monoisotopic mass
- 235.04154771
Names & identifiers
- Preferred name
- 5-(Benzylthio)-6-azauracil
- IUPAC
- 6-benzylsulfanyl-2H-1,2,4-triazine-3,5-dione
Names & synonyms
4956-07-45-(Benzylthio)-6-azauracil5-Benzylthio-6-azauracilas-Triazine-3,5(2H,4H)-dione, 6-(benzylthio)-LLH6K66HX36-(Benzylthio)-as-triazine-3,5(2H,4H)-dioneUNII-LLH6K66HX3NSC 107691NSC-107691DTXSID301978361,2,4-TRIAZINE-3,5(2H,4H)-DIONE, 6-((PHENYLMETHYL)THIO)-6-((PHENYLMETHYL)THIO)-1,2,4-TRIAZINE-3,5(2H,4H)-DIONE
Show more names
RefChem:198856DTXCID901203276-(benzylsulfanyl)-1,2,4-triazine-3,5(2H,4H)-dioneNSC107691ChemDiv2_003344Cambridge id 5141291CBDivE_0097426-Benzylsulfanyl-2H-[1,2,4]triazine-3,5-dione
Database identifiers
- CAS
4956-07-4- PubChem CID
- 199787
- DTXSID
DTXSID30197836- ChEMBL
CHEMBL1092602- UNII
- LLH6K66HX3
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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