Basic information
- CAS
3006-27-7- Standard SMILES
CCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCC- InChIKey
QADJHAOXTKCYFT-UHFFFAOYSA-N- Molecular formula
- C22H42O4S
- Average molar mass
- 402.6 g/mol
- Monoisotopic mass
- 402.28038099
Names & identifiers
- Preferred name
- Dioctyl thiodipropionate
- IUPAC
- octyl 3-(3-octoxy-3-oxopropyl)sulfanylpropanoate
- English name
- 3,3'-Thiobis(propionic acid octyl) ester
- Molecular formula
- C22H42O4S
- Molecular weight
- 402.63
Names & synonyms
dioctyl thiodipropionate3006-27-7Dioctyl 3,3'-thiodipropionateDioctyl 3,3'-thiodipropanoateU4DWP8L650UNII-U4DWP8L650Propanoic acid, 3,3'-thiobis-, dioctyl esterPropanoic acid, 3,3'-thiobis-, 1,1'-dioctyl esteroctyl 3-(3-octoxy-3-oxopropyl)sulfanylpropanoateSCHEMBL110693DTXSID90545278Dioctyl 3,3'-sulfanediyldipropanoate
Show more names
Dioctyl 3,3'- thiodipropionate3,3'-Thiobis(propionic acid octyl) ester
Q27290671
Database identifiers
- CAS
3006-27-7- PubChem CID
- 13624481
- DTXSID
DTXSID90545278- UNII
- U4DWP8L650
- Nikkaji
- J262.277G
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 22
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Boiling point
- 486.2 · 486.2±30.0 °C(Predicted)
- Density
- 0.975 · 0.975±0.06 g/cm3(Predicted)
- FDA UNII
- 4 DWP8L650 · U4DWP8L650
Chemistry & industry
Suppliers12 total
三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]
湖北鑫杰成化工科技有限公司13554075426 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
武汉华翔科洁生物技术有限公司027-86638848 18627828293 · [email protected]
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
郑州艾克姆化工有限公司0371-63315541 13323832564 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
Henan Allgreen Chemical Co.,LTD+86-37155567971 +86-13633837469 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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