3,3'-Dithiodipropionic acid
PubChem CID: 95116
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| Compound Synonyms | 3,3'-Dithiodipropionic acid, 1119-62-6, Dithiodipropionic acid, Propanoic acid, 3,3'-dithiobis-, 3,3-Dithiodipropionic acid, 2-Carboxyethyl disulfide, 3,3'-Disulfanediyldipropanoic acid, Propionic acid, 3,3'-dithiodi-, 3,3'-Dithiobis(dipropionic acid), 3,3'-Dithiodipropanoic acid, 3-(2-carboxyethyldisulfanyl)propanoic acid, 3,3'-Dithiobispropionic acid, EINECS 214-284-0, Bis(2-carboxyethyl)disulfide, NSC 18841, .beta.,.beta.'-Dithiodipropionic acid, Bis(2-carboxyethyl) disulfide, DTDPA, 42OP5B2NI6, DTXSID0032998, 3-[(2-carboxyethyl)disulfanyl]propanoic acid, NSC-18841, DTXCID8012998, NSC677544, NSC-677544, Dithiobis-propanoic Acid, PROPIONIC ACID, .BETA.,.BETA.'-DITHIOBIS-, PROPIONIC ACID, .BETA.,.BETA.'-DITHIODI-, UNII-42OP5B2NI6, 4-Phenyl-spiro[furan-2(3H),1'(3'H)-isobenzofuran]-3,3'-dione, 4-Phenylspiro[furan-2(3H),1'-phthalan]-3,3'-dione, Fluram, Ro 20-7234, MFCD00002780, beta'-Dithiodilactic acid, 4,5-Dithiaoctanedioic acid, 3,3'Dithiobispropionic acid, SCHEMBL95982, Propionic acid,3'-dithiodi-, MLS001055392, Propionic acid, 3,3'dithiodi, CHEMBL338743, Propanoic acid, 3,3'dithiobis, 3,3'Dithiobis(dipropionic acid), 3,3-DITHIODIPROPIONICACID, beta,beta'-Dithiodipropionic acid, HMS3039J17, 4,5-DITHIA-OCTANDIOIC ACID, NSC18841, Tox21_200951, 3,3'-Dithiodipropionic acid, 99%, AKOS002384849, Propionic acid, 3,3'dithiodi (8CI), CS-W015111, HY-W014395, Propionic acid, 3,3'-dithiodi-(8CI), NCGC00090953-01, NCGC00090953-02, NCGC00258504-01, AS-16024, BP-31240, DA-49488, SMR000677937, CAS-1119-62-6, D0947, NS00020141, PROPIONIC ACID, BETA,BETA'-DITHIODI-, EN300-98193, PROPIONIC ACID, BETA,BETA'-DITHIOBIS-, D71202, Q27258565, 3,3'-Dithiobis-propanoic Acid, beta,beta'-Dithiodipropionic Acid, 2-Carboxyethyl Disulfide, DTDPA, NSC 18841, NSC 677544 |
|---|---|
| Topological Polar Surface Area | 125.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 142.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P16473 |
| Iupac Name | 3-(2-carboxyethyldisulfanyl)propanoic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT210 |
| Xlogp | -0.1 |
| Molecular Formula | C6H10O4S2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | YCLSOMLVSHPPFV-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -2.125 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.757 |
| Compound Name | 3,3'-Dithiodipropionic acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 210.002 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.002 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 210.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6187111999999997 |
| Inchi | InChI=1S/C6H10O4S2/c7-5(8)1-3-11-12-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10) |
| Smiles | C(CSSCCC(=O)O)C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Albizia Julibrissin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all