Cas no 5455-50-5 (4-methyloxathiane 2,2-dioxide)
4-methyloxathiane 2,2-dioxide structure
Product Name:4-methyloxathiane 2,2-dioxide
CAS No:5455-50-5
MF:C5H10O3S
MW:150.196100711823
CID:941943
PubChem ID:229582
Update Time:2025-04-19
4-methyloxathiane 2,2-dioxide Chemical and Physical Properties
Names and Identifiers
-
- 4-methyloxathiane 2,2-dioxide
- 4-Methyl-[1,2]oxathian-2,2-dioxid
- 4-methyl-[1,2]oxathiane-2,2-dioxide
- 4-methyl-1,2-oxathiane 2,2-dioxide
- AC1L5HMD
- AC1Q6YV2
- AG-K-65967
- AR-1G3263
- CTK5A1631
- NSC23361
- NSC-23361
- SCHEMBL9300331
- 4-Hydroxy-2-methyl-1-butane sulfonic acid sultone
- 5455-50-5
- DTXSID10281888
-
- Inchi： 1S/C5H10O3S/c1-5-2-3-8-9(6,7)4-5/h5H,2-4H2,1H3
- InChI Key： MKJOLUXKAUKFIT-UHFFFAOYSA-N
- SMILES： S1(CC(C)CCO1)(=O)=O
Computed Properties
- Exact Mass: 509.0814
- Monoisotopic Mass: 150.035
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 177
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- Density: 1.43
- Refractive Index: 1.661
- PSA: 116.57
4-methyloxathiane 2,2-dioxide Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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