Basic information
- CAS
61476-94-6- Standard SMILES
CC(=O)CCS(=O)(=O)c1ccc(C)cc1- InChIKey
PHFAYIXJKFEOBL-UHFFFAOYSA-N- Molecular formula
- C11H14O3S
- Average molar mass
- 226.29 g/mol
- Monoisotopic mass
- 226.06636548
Names & identifiers
- Preferred name
- 4-Tosylbutan-2-one
- IUPAC
- 4-(4-methylphenyl)sulfonylbutan-2-one
- English name
- 4-(Toluene-4-sulfonyl)-butan-2-one
- Molecular formula
- C11H14O3S
- Molecular weight
- 226.29
Names & synonyms
4-Tosylbutan-2-one61476-94-64-(4-methylphenyl)sulfonylbutan-2-one2-Butanone, 4-[(4-methylphenyl)sulfonyl]-4-(TOLUENE-4-SULFONYL)-BUTAN-2-ONE4-[(4-Methylphenyl)sulfonyl]-2-butanone4-[(4-methylphenyl)sulfonyl]butan-2-one4-Tosyl-2-butanone4-[(4'-methylphenyl)sulfonyl]-2-butanoneorb3218043SCHEMBL6911921DTXSID70350605
Show more names
HTS03642CCG-45699MFCD00228455AKOS001705090SY491443DB-3398914-(4-Methylbenzene-1-sulfonyl)butan-2-oneEU-0017446
Database identifiers
- CAS
61476-94-6- PubChem CID
- 684064
- DTXSID
DTXSID70350605- Nikkaji
- J2.129.043B
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Melting point
- 66 · 66-69 °C
- Boiling point
- 403.4 · 403.4±45.0 °C(Predicted)
- Density
- 1.165 · 1.165±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
上海康恩博科技有限公司（科小研试剂）400-1388-521 17673770086 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…