Cas no 51270-71-4 ( )
structure
Product Name:
CAS No:51270-71-4
MF:C12H18O6S
MW:290.332723140717
CID:935059
PubChem ID:230857
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2-(1-ethoxy-1,3-dioxobutan-2-yl)sulfanyl-3-oxobutanoate
- 2,2'-Sulfandiyl-bis-acetessigsaeure-diaethylester
- AC1L5KFY
- AC1Q5C6M
- AG-J-30463
- AR-1I4382
- Bis < acetyl(ethoxylcarbonyl) methyl> sulfid
- Bis-&
- Bis-(1-aethoxycarbonyl-2-oxo-propyl)-sulfid
- bis-(1-ethoxycarbonyl-2-oxo-propyl)-sulfide
- bis(ethoxycarbonylacetylmethyl) sulfide
- CTK1H1791
- diethyl 2,2'-sulfanediylbis(3-oxobutanoate)
- ETHYL 2-(1-ETHOXYCARBONYL-2-OXO-PROPYL)SULFANYL-3-OXO-BUTANOATE
- fester Thiacetessigester
- NSC26196
- SCHEMBL5051679
- QKTXNWYEAHBDIK-UHFFFAOYSA-N
- DTXSID40282505
- 51270-71-4
- NSC-26196
-
-
- Inchi： 1S/C12H18O6S/c1-5-17-11(15)9(7(3)13)19-10(8(4)14)12(16)18-6-2/h9-10H,5-6H2,1-4H3
- InChI Key： QKTXNWYEAHBDIK-UHFFFAOYSA-N
- SMILES： S(C(C(=O)OCC)C(C)=O)C(C(=O)OCC)C(C)=O
Computed Properties
- Exact Mass: 290.08244
- Monoisotopic Mass: 290.082
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 10
- Complexity: 331
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 112?2
Experimental Properties
- Density: 1.197
- Boiling Point: 361.6°C at 760 mmHg
- Flash Point: 164.4°C
- Refractive Index: 1.482
- PSA: 86.74
- LogP: 0.76100
Related Literature
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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