Basic information
- CAS
73840-29-6- Standard SMILES
CCSc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1- InChIKey
SYTLDXNPGBQYRC-UHFFFAOYSA-N- Molecular formula
- C7H8N4O2S
- Average molar mass
- 212.23 g/mol
- Monoisotopic mass
- 212.03679668
Names & identifiers
- Preferred name
- 8-(Ethylthio)-xanthine
- IUPAC
- 8-ethylsulfanyl-3,7-dihydropurine-2,6-dione
- English name
- 8-Ethylthio-3,7-dihydro-1H-purine-2,6-dione
- Molecular formula
- C7H8N4O2S
- Molecular weight
- 212.23
Names & synonyms
Xanthine, 8-(ethylthio)-8-(Ethylthio)xanthineNSC 814998-(Ethylthio)-xanthineBRN 0212370G8SX2S966S1H-Purine-2,6-dione, 8-(ethylthio)-3,7-dihydro-NSC-81499UNII-G8SX2S966S1H-Purine-2,6-dione, 3,7-dihydro-8-(ethylthio)-DTXSID002244012-26-00-00322 (Beilstein Handbook Reference)
Show more names
8-Ethylthio-3,7-dihydro-1H-purine-2,6-dione
8-(ETHYLTHIO)-3,9-DIHYDRO-1H-PURINE-2,6-DIONE1H-PURINE-2,6-DIONE, 8-(ETHYLTHIO)-3,9-DIHYDRO-RefChem:199228DTXCID601468921H-Purine-2,6-dione, 8-(ethylthio)-3,7-dihydro-(9CI)73840-29-68-ethylsulfanyl-3,7-dihydropurine-2,6-dione8-(Ethylthio)-1H-purine-2,6(3H,7H)-dione
Database identifiers
- CAS
73840-29-6- PubChem CID
- 96609
- DTXSID
DTXSID00224401- UNII
- G8SX2S966S
- Nikkaji
- J107.259E
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- FDA UNII
- 8 SX2S966S · G8SX2S966S
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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