Basic information
- CAS
1189657-00-8- Standard SMILES
[2H]C([2H])(SC(=O)c1ccccc1)C([2H])([2H])S(=O)(=O)[O-].[Na+]- InChIKey
MQRJYFYHAKNZHS-FEUVXQGESA-M- Molecular formula
- C9H9NaO4S2
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.00910238
Names & identifiers
- Preferred name
- Sodium Benzoylthioethanesulfonate-d4
- IUPAC
- sodium 2-benzoylsulfanyl-1,1,2,2-tetradeuterioethanesulfonate
- English name
- Sodium benzoylthioethanesulfonate-d4
- Molecular formula
- C9H5D4NaO4S2
- Molecular weight
- 272.309777112
Names & synonyms
Sodium Benzoylthioethanesulfonate-d41189657-00-8sodium;2-benzoylsulfanyl-1,1,2,2-tetradeuterioethanesulfonateDTXSID90662191AKOS030254398Sodium 2-(benzoylsulfanyl)(~2~H_4_)ethane-1-sulfonate
Database identifiers
- CAS
1189657-00-8- PubChem CID
- 45040407
- DTXSID
DTXSID90662191
Properties
Computed structural properties
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- solubility
- Water
- form
- Solid
- color
- White
Chemistry & industry
Applications
UsesSodium Benzoylthioethanesulfonate-d4 (cas# 1189657-00-8) is a compound useful in organic synthesis.
Suppliers6 total
Cato Research Chemicals Inc.020-81960175 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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