Basic information
- CAS
16290-89-4- Standard SMILES
CS(=O)(=O)c1ncc(OCc2ccccc2)cn1- InChIKey
UHXSHBYUMVBMGA-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3S
- Average molar mass
- 264.3 g/mol
- Monoisotopic mass
- 264.05686324
Names & identifiers
- Preferred name
- 2-Methylsulfonyl-5-phenylmethoxypyrimidine
- IUPAC
- 2-methylsulfonyl-5-phenylmethoxypyrimidine
- English name
- 5-Benzyloxy-2-MethylsulfonylpyriMidine
- Molecular formula
- C12H12N2O3S
- Molecular weight
- 264.3
Names & synonyms
16290-89-42-methylsulfonyl-5-phenylmethoxypyrimidineDTXSID10384383RefChem:264009DTXCID203354075-Benzyloxy-2-methylsulfonylpyrimidine5-(benzyloxy)-2-(methylsulfonyl)pyrimidine5-(benzyloxy)-2-methanesulfonylpyrimidineMaybridge3_000765SCHEMBL8113925UHXSHBYUMVBMGA-UHFFFAOYSA-NHMS1433C17
Show more names
2-(Methylsulfonyl)-5-(phenylMethoxy)pyriMidinePyrimidine, 2-(methylsulfonyl)-5-(phenylmethoxy)-
CCG-2426365-benzyloxy-2-methyl-sulfonylpyrimidine5-benzyloxy-2-methylsulfonyl-pyrimidineIDI1_012152DB-3171715-(Benzyloxy)-2-(methanesulfonyl)pyrimidineCS-0234288EN300-140453
Database identifiers
- CAS
16290-89-4- PubChem CID
- 2802902
- DTXSID
DTXSID10384383
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 93 · 93-94.5 °C(Solv: ethanol (64-17-5))
- Boiling point
- 471.1 · 471.1±37.0 °C(Predicted)
- Density
- 1.306 · 1.306±0.06 g/cm3(Predicted)
- solubility
- Chloroform, Dichloromethane, Methanol
- form
- Solid
- pka
- -3.22 · -3.22±0.22(Predicted)
- color
- Light Yellow
Chemistry & industry
Applications
UsesIntermediate in the preparation of Buspirone derivatives.
Upstream & downstream products
Upstream raw materials
Suppliers7 total
上海陶素生化科技有限公司021-33632979 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
南通开盛生物科技有限公司13951303301;13951303301 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
2 records
Compound notes
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