Basic information
- CAS
3289-23-4- Standard SMILES
CC1CCS(=O)(=O)O1- InChIKey
RAEHYISCRHEVNT-UHFFFAOYSA-N- Molecular formula
- C4H8O3S
- Average molar mass
- 136.17 g/mol
- Monoisotopic mass
- 136.01941529
Names & identifiers
- Preferred name
- 5-Methyl-1,2-oxathiolane 2,2-dioxide
- IUPAC
- 5-methyloxathiolane 2,2-dioxide
- English name
- 1,3-Butanesultone
- Molecular formula
- C4H8O3S
- Molecular weight
- 136.17
Names & synonyms
5-Methyl-1,2-oxathiolane 2,2-dioxide3289-23-41,3-Butanesultone5-methyloxathiolane 2,2-dioxide1,3-butane sultone1,2-Oxathiolane, 5-methyl-, 2,2-dioxideMFCD00209959gamma-Butane sultoneBRN 0110574MPZ2ZP7NTN1-Butanesulfonic acid, 3-hydroxy-, gamma-sultoneSCHEMBL98605
Show more names
SCHEMBL26605773DTXSID309545475-Methyl Oxathiopentyl 2,2-dioxideAKOS0062721895-Methyl-1,2-oxathiolane2,2-dioxideSY2643595-methyl-1,2|E?-oxathiolane-2,2-dioneCS-0108609
Database identifiers
- CAS
3289-23-4- PubChem CID
- 201115
- DTXSID
DTXSID30954547- UNII
- MPZ2ZP7NTN
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 157.5 °C · 157.5 °C(Press: 14 Torr)
- Density
- 1.28 · 1.280±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- Appearance
- Colorless to light yellow Liquid
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers26 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
盖米科技（青岛）有限公司19524370118 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
江西普欣生物科技有限公司15867635987 · [email protected]
台州市瑞欣化工有限公司0576-89085261 15867635987 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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