Basic information
- CAS
13595-45-4- Standard SMILES
CS(=O)(=O)N1CCC1- InChIKey
RNCROYMBTHIPDN-UHFFFAOYSA-N- Molecular formula
- C4H9NO2S
- Average molar mass
- 135.19 g/mol
- Monoisotopic mass
- 135.0353997
Names & identifiers
- Preferred name
- N-(Methylsulfonyl)azetidine
- IUPAC
- 1-methylsulfonylazetidine
- English name
- 1-(Methylsulfonyl)azetidine
- Molecular formula
- C4H9NO2S
- Molecular weight
- 135.18
Names & synonyms
N-(Methylsulfonyl)azetidine13595-45-4Azetidine, 1-(methylsulfonyl)-1-methylsulfonylazetidine1-(Methylsulfonyl)azetidineNSC292071-(Methanesulfonyl)azetidine1-(Methylsulfonyl)azetidine #SCHEMBL2303538SCHEMBL3123076SCHEMBL12989189SCHEMBL12989191
Show more names
DTXSID40283037RNCROYMBTHIPDN-UHFFFAOYSA-NNSC-29207
Database identifiers
- CAS
13595-45-4- PubChem CID
- 232153
- DTXSID
DTXSID40283037- Nikkaji
- J101.184G
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 81 · 81-82 °C
- Boiling point
- 218.8 · 218.8±23.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- -3.52 · -3.52±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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