Cas no 75987-85-8 (2-Butanone, 4,4'-thiobis[3-methyl-)
75987-85-8 structure
Product Name:2-Butanone, 4,4'-thiobis[3-methyl-
CAS No:75987-85-8
MF:C10H18O2S
MW:202.313722133636
CID:1775413
PubChem ID:15219956
Update Time:2025-04-21
2-Butanone, 4,4'-thiobis[3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-methyl-4-(2-methyl-3-oxobutyl)sulfanylbutan-2-one
- 75987-85-8
- 3,3'-[Sulfanediylbis(methylene)]di(butan-2-one)
- 3,7-dimethyl-5-thianonan-2,8-dione
- DTXSID40570217
- 2-Butanone, 4,4'-thiobis[3-methyl-
-
- Inchi： 1S/C10H18O2S/c1-7(9(3)11)5-13-6-8(2)10(4)12/h7-8H,5-6H2,1-4H3
- InChI Key： YTNKINVCQDJXHF-UHFFFAOYSA-N
- SMILES： S(CC(C(C)=O)C)CC(C(C)=O)C
Computed Properties
- Exact Mass: 202.10275099g/mol
- Monoisotopic Mass: 202.10275099g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 169
- 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: 1.3
- Topological Polar Surface Area: 59.4?2
2-Butanone, 4,4'-thiobis[3-methyl- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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