Cas no 39199-23-0 (1,3-bis(methylsulfanyl)propan-2-one)
39199-23-0 structure
Product Name:1,3-bis(methylsulfanyl)propan-2-one
CAS No:39199-23-0
MF:C5H10OS2
MW:150.262299060822
CID:1502155
PubChem ID:181628
Update Time:2025-04-21
1,3-bis(methylsulfanyl)propan-2-one Chemical and Physical Properties
Names and Identifiers
-
- 1,3-bis(methylsulfanyl)propan-2-one
- SCHEMBL2112269
- DTXSID10192440
- a-methylthiomethyl ketone
- 2-Propanone, 1,3-bis(methylthio)-
- 39199-23-0
-
- Inchi： 1S/C5H10OS2/c1-7-3-5(6)4-8-2/h3-4H2,1-2H3
- InChI Key： IUFDUVLNSLEDSE-UHFFFAOYSA-N
- SMILES： S(C)CC(CSC)=O
Computed Properties
- Exact Mass: 150.0174
- Monoisotopic Mass: 150.01730729g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 4
- Complexity: 64.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 67.7?2
Experimental Properties
- PSA: 17.07
1,3-bis(methylsulfanyl)propan-2-one Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
39199-23-0 (1,3-bis(methylsulfanyl)propan-2-one) Related Products
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