Cas no 33269-57-7 (Ferrocene,1,1'-(thiodiethylidene)- (9CI))
33269-57-7 structure
Product Name:Ferrocene,1,1'-(thiodiethylidene)- (9CI)
CAS No:33269-57-7
MF:C14H16FeS
MW:272.18684387207
CID:306908
PubChem ID:3036948
Update Time:2025-04-19
Ferrocene,1,1'-(thiodiethylidene)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Ferrocene,1,1'-(thiodiethylidene)- (9CI)
- 5-[1-(1-cyclopenta-2,4-dien-1-ylethylsulfanyl)ethyl]cyclopenta-1,3-diene,iron(2+)
- 1,1'-(Thiodiethylidene)ferrocne
- 5-[1-(1-cyclopenta-2,4-dien-1-ylethylsulfanyl)ethyl]cyclopenta-1,3-diene
- AC1MI21N
- EX 10-478
- Ferrocene, 1,1'-(thiodiethylidene)-
- Ferrocne, 1,1'-(thiodiethylidene)-
- LS-68817
- MDL 80478
- NSC 317937
- UNII-FH86543XZI
- MDL-80478
- NSC-317937
- 2-[1-(1-cyclopenta-1,4-dien-1-ylethylsulfanyl)ethyl]cyclopenta-1,3-diene;iron(2+)
- Q27277989
- FH86543XZI
- 33269-57-7
- 1,1'-(thiodiethylidene)ferrocene
-
- Inchi： 1S/C14H16S.Fe/c1-11(13-7-3-4-8-13)15-12(2)14-9-5-6-10-14;/h3-12H,1-2H3;/q-2;+2
- InChI Key： BAWCBYSSERFTKX-UHFFFAOYSA-N
- SMILES： [Fe+2].S(C(C)C1C=C[CH-]C=1)C(C)C1C=C[CH-]C=1
Computed Properties
- Exact Mass: 272.05264
- Monoisotopic Mass: 272.032207g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 158
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- PSA: 0
- LogP: 3.17810
Ferrocene,1,1'-(thiodiethylidene)- (9CI) Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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