3,3'-Thiopropionic acid

Systematic / IUPAC Name: 3-(2-Carboxyethylsulfanyl)propanoic acid

ID: Reference3298

Other Names: 3,3'-Thiobis(propanoic acid);
3,3'-Thiodipropanoic acid;
Propanoic acid, 3,3'-thiobis-;
Tyox A;
3-(2-Carboxyethylthio)propanoic acid ; more

Formula: C6H10O4S

Class: Extractables/Leachables Industrial Chemicals Personal Care Products/Cosmetics Excipients/Additives/Colorants

Spectral Data

3,3'-Thiopropionic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 242
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 11/10/2015 6:57:41 AM
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Identificators

InChI InChI=1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChI Key ODJQKYXPKWQWNK-UHFFFAOYSA-N
Canonical SMILES C(CSCCC(=O)O)C(=O)O
CAS 111171
Splash
Other Names 3,3'-Thiobis(propanoic acid);
3,3'-Thiodipropanoic acid;
Propanoic acid, 3,3'-thiobis-;
Tyox A;
3-(2-Carboxyethylthio)propanoic acid;
3,3'-Thiodipropionic acid;
3-[(2-Carboxyethyl)sulfanyl]propanoic acid;
4-Thiaheptanedioic acid;
Bis(2-carboxyethyl) sulfide;
Diethyl sulfide 2,2'-dicarboxylic acid;
Propionic acid, 3,3'-thiodi-;
Sulfide, bis(2-carboxyethyl);
Thiahydracrylic acid;
Thiodihydracrylic acid;
Thiodipropionic acid;
TDPA

In Other Databases

ChemSpider 7805
PubChem 8096
ChEMBL CHEMBL1569439
HMDb HMDB31162
ChemIDPlus 000111171; 003594158; 067151671