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Basic information
- CAS
833-82-9- Standard SMILES
O=S(Cc1ccccc1)c1ccccc1- InChIKey
FBPGAWABXWMRAR-UHFFFAOYSA-N- Molecular formula
- C13H12OS
- Average molar mass
- 216.3 g/mol
- Monoisotopic mass
- 216.06088618
Names & identifiers
- Preferred name
- Benzyl phenyl sulfoxide
- IUPAC
- benzenesulfinylmethylbenzene
- English name
- NSC122659
- Molecular formula
- C13H12OS
- Molecular weight
- 216.3
Names & synonyms
Benzyl phenyl sulfoxide833-82-9DTXSID60286328RefChem:118896DTXCID80237478622-062-3FBPGAWABXWMRAR-UHFFFAOYSA-N(benzylsulfinyl)benzene[(BENZENESULFINYL)METHYL]BENZENEbenzenesulfinylmethylbenzeneMLS002707255NSC44777
Show more names
NSC 44777[(Phenylmethyl)sulfinyl]benzeneBenzene, [(phenylmethyl)sulfinyl]-
NSC122659ghl.PD_Mitscher_leg0.491SCHEMBL779948[(Phenylsulfinyl)methyl]benzeneCHEMBL1863954[(Phenylsulfinyl)methyl]benzene #HMS1666I08MFCD00019926
Database identifiers
- CAS
833-82-9- PubChem CID
- 239581
- DTXSID
DTXSID60286328- ChEMBL
CHEMBL1863954- EC Number
- 622-062-3
- Nikkaji
- J283.984I
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 36.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Melting point
- 125.5 °C · 125.5 °C(Solv: ethanol (64-17-5))
- Boiling point
- 396.5 · 396.5±21.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
5 records
Compound notes
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