Basic information
- CAS
715-11-7- Standard SMILES
CCC(C)OS(=O)(=O)c1ccc(C)cc1- InChIKey
AYHWQTQILBGWRN-UHFFFAOYSA-N- Molecular formula
- C11H16O3S
- Average molar mass
- 228.31 g/mol
- Monoisotopic mass
- 228.08201554
Names & identifiers
- Preferred name
- Butan-2-yl 4-methylbenzenesulfonate
- IUPAC
- butan-2-yl 4-methylbenzenesulfonate
- English name
- p-Toluenesulfonic acid sec-butyl ester
- Molecular formula
- C11H16O3S
- Molecular weight
- 228.31
Names & synonyms
715-11-7butan-2-yl 4-methylbenzenesulfonateDTXSID20398931RefChem:330394DTXCID10349790SEC-BUTYL 4-METHYLBENZENESULFONATEBenzenesulfonic acid, 4-methyl-, 1-methylpropyl esterMFCD24660588Topiroxostat Impurity H2-butyl tosylatebutan-2-yl 4-methylbenzene-1-sulfonateSec-Butyl 4-Methylbenzenesulfonate (>80%, with an impurity of pTSA)
Show more names
sec-Butyl-p-toluenesulfonatep-Toluenesulfonic acid sec-butyl esterIsobutyl p-benzenesulfonate (topirastat)
sec-Butyl tosylate1-Methylpropyl tosylate2-Butyl p-toluenesulfonatesec-butyl p-toluenesulfonate2T4US3E8NXSCHEMBL922442-(p-Toluenesulfonyloxy)butanesec-Butyl alcohol, p-toluenesulfonate
Database identifiers
- CAS
715-11-7- PubChem CID
- 4064321
- DTXSID
DTXSID20398931- UNII
- 2T4US3E8NX
- Nikkaji
- J559.649A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Sparingly), Methanol (Slightly)
- form
- Oil
- color
- Colourless to Pale Yellow
Chemistry & industry
Applications
UsesSec-Butyl 4-Methylbenzenesulfonate is a useful reagent in various research.
Suppliers39 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
常州金和生物科技有限公司18796930758 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
南京腾怡生物科技有限公司17714337195 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
河北明吉化工科技有限公司13731109507 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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