Basic information
- CAS
824-86-2- Standard SMILES
CS(=O)Cc1ccccc1- InChIKey
LISVNGUOWUKZQY-UHFFFAOYSA-N- Molecular formula
- C8H10OS
- Average molar mass
- 154.23 g/mol
- Monoisotopic mass
- 154.04523611
Overview
Methyl benzyl sulfoxide is a sulfoxide.
Names & identifiers
- Preferred name
- alpha-(Methylsulphinyl)toluene
- IUPAC
- methylsulfinylmethylbenzene
- English name
- Benzyl methyl sulfoxide
- Molecular formula
- C8H10OS
- Molecular weight
- 154.23
Names & synonyms
824-86-2alpha-(Methylsulphinyl)tolueneEINECS 212-539-0RefChem:555318212-539-0Benzyl methyl sulfoxideMethyl benzyl sulfoxidemethylsulfinylmethylbenzenebenzylmethylsulfoxideBenzene,[(methylsulfinyl)methyl]-Benzene, [(methylsulfinyl)methyl]-Methanesulfinylmethyl-benzene
Show more names
B Lymphocyteα-(methylsulphinyl)toluene1-(Methylsulfinylmethyl)benzene
CHEMBL174361DS 1[(Methylsulfinyl)methyl]benzene #BDBM50224863((Methylsulfinyl)methyl)benzene[(Methylsulfinyl)methyl]benzene(methanesulfinylmethyl)benzeneSulfoxide, benzyl methyl
Database identifiers
- CAS
824-86-2- PubChem CID
- 69991
- DTXSID
DTXSID901002662- ChEMBL
CHEMBL174361- ChEBI
CHEBI:167326- EC Number
- 212-539-0
- Nikkaji
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 51 °C · 51 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 116 · 116-118 °C(Press: 0.8 Torr)
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee Diphenyl sulfoxide and Dimethyl sulfoxide.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
UsesMethyl Benzyl Sulfoxide (cas# 824-86-2) is a compound useful in organic synthesis.
Suppliers12 total
广东泛普生物科技有限公司19513720913 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Aladdin Scientific[email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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