Sulfonium, dimethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl)-, iodide
Basic information
- CAS
3837-15-8- Standard SMILES
Cn1c(=O)c2c(ncn2CC[S+](C)C)n(C)c1=O.[I-]- InChIKey
VMBDPUGSNLSFCF-UHFFFAOYSA-M- Molecular formula
- C11H17IN4O2S
- Average molar mass
- 396.25 g/mol
- Monoisotopic mass
- 396.01169
Names & identifiers
- Preferred name
- Sulfonium, dimethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl)-, iodide
- IUPAC
- 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl-dimethylsulfanium iodide
Names & synonyms
T(sub 27)Dimethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl)sulfonium iodide3837-15-8Sulfonium, dimethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl)-, iodideRefChem:382614DTXSID70959298[2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl](dimethyl)sulfanium iodide[2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl]di(methyl)sulfanium iodide
Database identifiers
- CAS
3837-15-8- PubChem CID
- 199203
- DTXSID
DTXSID70959298
Properties
Computed structural properties
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 363
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Related reactions
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Compound notes
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