Basic information
- CAS
222038-81-5- Standard SMILES
CS(=O)(=O)N1CCN(c2ccccc2)CC1- InChIKey
RTMVRNFNRYPQJN-UHFFFAOYSA-N- Molecular formula
- C11H16N2O2S
- Average molar mass
- 240.32 g/mol
- Monoisotopic mass
- 240.09324893
Names & identifiers
- Preferred name
- 1-Methylsulfonyl-4-phenylpiperazine
- IUPAC
- 1-methylsulfonyl-4-phenylpiperazine
- English name
- 1-(methylsulfonyl)-4-phenylpiperazine
- Molecular formula
- C11H16N2O2S
- Molecular weight
- 240.32
Names & synonyms
1-methylsulfonyl-4-phenylpiperazine222038-81-5DTXSID10355391RefChem:232115DTXCID803064511-(methylsulfonyl)-4-phenylpiperazine1-(Methanesulfonyl)-4-phenylpiperazineOprea1_464257Oprea1_690108SCHEMBL1810203SCHEMBL2103067SCHEMBL2103070
Show more names
Piperazine, 1-(methylsulfonyl)-4-phenyl-
SCHEMBL15475080HMS5161L08STK3958704-(methylsulfonyl)-1-phenylpiperazineAKOS000390960DB-329005ST50696303AP-263/40250661
Database identifiers
- CAS
222038-81-5- PubChem CID
- 799016
- DTXSID
DTXSID10355391- Nikkaji
- J1.047.771I
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Melting point
- 53 °C · 53 °C
- Boiling point
- 392.7 · 392.7±52.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 5.02 · 5.02±0.40(Predicted)
Chemistry & industry
Suppliers2 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
12 records
Compound notes
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