Basic information
- CAS
5325-76-8- Standard SMILES
O=C(O)Cc1ccc(SSc2ccc(CC(=O)O)cc2)cc1- InChIKey
IMLDPTDOTIPGGL-UHFFFAOYSA-N- Molecular formula
- C16H14O4S2
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.03335127
Names & identifiers
- Preferred name
- 2,2'-(Dithiobis(4,1-phenylene))diacetic acid
- IUPAC
- 2-[4-[[4-(carboxymethyl)phenyl]disulfanyl]phenyl]acetic acid
- English name
- 4,4'-Dithiobisphenylacetic acid
- Molecular formula
- C16H14O4S2
- Molecular weight
- 334.41
Names & synonyms
5325-76-84,4'-Dithiobisphenylacetic Acid2,2'-(Dithiobis(4,1-phenylene))diacetic acid2-[4-[[4-(carboxymethyl)phenyl]disulfanyl]phenyl]acetic acidSEJ54M5BCCNSC211NSC-211NSC380714,4'-Dithiobis(benzeneacetic acid)NSC-38071(DITHIODI-P-PHENYLENE)DIACETIC ACID2,2'-[Dithiobis(4,1-phenylene)]diacetic acid
Show more names
Benzeneacetic acid, 4,4'-dithiobis-(Dithiodi-p-phenylene)di-acetic Acid4,4'-DITHIOBISBENZENEACETIC ACID, DISULFIDE
NSC 2112,1-diyl)diacetic acid2-(4-((4-(CARBOXYMETHYL)PHENYL)DISULFANYL)PHENYL)ACETIC ACID4,4'-Dithiobisbenzeneacetic Acid Disulfide; (Dithiodi-p-phenylene)di-acetic Acid; NSC 211; NSC 38071;NSC 38071UNII-SEJ54M5BCC2,2-(Dithiobis(4,1-phenylene))diacetic acidSCHEMBL225546
Database identifiers
- CAS
5325-76-8- PubChem CID
- 219214
- DTXSID
DTXSID00201358- ChEMBL
CHEMBL1160967- UNII
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Melting point
- 199 · 199-202°C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- FDA UNII
- 54 M5BCC · SEJ54M5BCC
Chemistry & industry
Applications
UsesA redox buffer that increases the folding rate of disulfide-containing proteins realative to traditional buffers such as glutathione and glutathione-disulfide.
Suppliers6 total
武汉易泰科技有限公司上海分公司18930552037 · [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]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [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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