1,2,3,6-Tetrahydro-4-(methylthio)-1-(phenylmethyl)-1,3,5-triazine Hydroiodide
Basic information
- CAS
1174907-03-9- Standard SMILES
CSC1=NCN(Cc2ccccc2)CN1.I- InChIKey
HJIHGJMBPQDZCA-UHFFFAOYSA-N- Molecular formula
- C11H16IN3S
- Average molar mass
- 349.24 g/mol
- Monoisotopic mass
- 349.01097
Names & identifiers
- Preferred name
- 1,2,3,6-Tetrahydro-4-(methylthio)-1-(phenylmethyl)-1,3,5-triazine Hydroiodide
- IUPAC
- 3-benzyl-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine;hydroiodide
- English name
- 1,2,3,6-Tetrahydro-4-(methylthio)-1-(phenylmethyl)-1,3,5-triazine Hydroiodide
- Molecular formula
- C11H16IN3S
- Molecular weight
- 349.23431
Names & synonyms
1174907-03-91,2,3,6-Tetrahydro-4-(methylthio)-1-(phenylmethyl)-1,3,5-triazine Hydroiodide1-Benzyl-1,2,3,6-tetrahydro-4-(methylthio)-1,3,5-triazine Hydroiodide3-benzyl-6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazine;hydroiodideAC1MD7DR1-Benzyl-1,2,3,6-tetrahydro-4-(methylthio)-1,3,5-triazine Hydriodideorb3170062DTXSID50384524Fr13355CCG-54655SR-01000643742-13-Benzyl-6-(methylsulfanyl)-1,2,3,4-tetrahydro-1,3,5-triazine--hydrogen iodide (1/1)
Show more names
Compound Fr133551,2,3,6-Tetrahydro-4-(Methylthio)-1-(phenylMethyl)-
Database identifiers
- CAS
1174907-03-9- PubChem CID
- 2806873
- DTXSID
DTXSID50384524
Properties
Computed structural properties
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
Chemistry & industry
Applications
Uses1,2,3,6-Tetrahydro-4-(methylthio)-1-(phenylmethyl)-1,3,5-triazine Hydroiodide (cas# 1174907-03-9) is a compound useful in organic synthesis.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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