2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl dioctanoate (CAS 96692-62-5) — formula C27H48O8S2, molecular weight 564.8; category organic chemicals.
| CAS Number | 96692-62-5 |
|---|---|
| Molecular Formula | C27H48O8S2 |
| Molecular Weight | 564.8 |
| LogP | 6.3 |
| Category | Organic Chemicals |
2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl dioctanoate is a carbon-based organic compound with CAS registry number 96692-62-5 and molecular formula C27H48O8S2 (molecular weight 564.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 96692-62-5
Its molecular formula C27H48O8S2 comprises 27 C, 48 H, 8 O, 2 S atoms.
Also known as: 2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl dioctanoate · 2,2-双[(3-巯基-1-氧代丙氧基)甲基]-1,3-丙二基二辛酸酯
Category: organic chemicals
The CAS registry number of 2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl dioctanoate is 96692-62-5.
Molecular formula C27H48O8S2, molecular weight 564.8.
It is also registered under: 2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl dioctanoate, 2,2-双[(3-巯基-1-氧代丙氧基)甲基]-1,3-丙二基二辛酸酯.
Category: Organic Chemicals.
Independent reference data for 2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl dioctanoate (CAS 96692-62-5), compiled from public chemistry databases.
| CAS 号 | 96692-62-5 |
|---|---|
| PubChem CID | 53422756 |
| 分子式 | C27H48O8S2 |
| IUPAC 名称 | [2-(octanoyloxymethyl)-3-(3-sulfanylpropanoyloxy)-2-(3-sulfanylpropanoyloxymethyl)propyl] octanoate |
| UNII（FDA） | NS00066506 |
| Molecular Weight | 564.8 |
|---|---|
| XLogP3 | 6.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 28 |
| Exact Mass | 564.27906083 |
| Monoisotopic Mass | 564.27906083 |
| Topological Polar Surface Area | 107 |
| Heavy Atom Count | 37 |
EINECS 306-281-9; 2,2-BIS[(3-MERCAPTO-1-OXOPROPOXY)METHYL]-1,3-PROPANEDIYL DIOCTANOATE; 2,2-Bis((3-mercapto-1-oxopropoxy)methyl)-1,3-propanediyl dioctanoate; DTXSID90242391; Octanoic acid, 2,2-bis((3-mercapto-1-oxopropoxy)methyl)-1,3-propanediyl ester; Octanoic acid, 2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl ester; RefChem:80934; DTXCID90164882; 306-281-9; 96692-62-5; CSHJDPGSPSZKHR-UHFFFAOYSA-N; NS00066506; 2,2-Bis{[(3-sulfanylpropanoyl)oxy]methyl}propane-1,3-diyl dioctanoate
2,2-双[(3-巯基-1-氧代丙氧基)甲基]-1,3-丙二基二辛酸酯 · CAS 96692-62-5 · C27H48O8S2. UNII NS00066506.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.