Cas no 55125-27-4 (Iron,(benzenecarbothioato-kS)dicarbonyl(h5-2,4-cyclopentadien-1-yl)-)
55125-27-4 structure
Product Name:Iron,(benzenecarbothioato-kS)dicarbonyl(h5-2,4-cyclopentadien-1-yl)-
CAS No:55125-27-4
MF:C14H6FeO3S
MW:310.105643749237
CID:386675
PubChem ID:54725170
Update Time:2025-04-19
Iron,(benzenecarbothioato-kS)dicarbonyl(h5-2,4-cyclopentadien-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Iron,(benzenecarbothioato-kS)dicarbonyl(h5-2,4-cyclopentadien-1-yl)-
- carbon monoxide,cyclopenta-1,3-diene,iron(6+),thiobenzate
- Benzenecarbothioic acid, iron complex
- Iron,(benzenecarbothioato-S)dicarbonyl(h5-2,4-cyclopentadien-1-yl)-
- NSC 120125
- NSC-120125
- 55125-27-4
- NSC120125
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- Inchi： 1S/C7H6OS.C5H.2CO.Fe/c8-7(9)6-4-2-1-3-5-6;1-2-4-5-3-1;2*1-2;/h1-5H,(H,8,9);1H;;;/q;-5;;;+6/p-1
- InChI Key： DOGVKRLSTSLOBO-UHFFFAOYSA-M
- SMILES： [Fe+6].[S-]C(C1C=CC=CC=1)=O.[O+]#[C-].[O+]#[C-].[CH-]1[C-]=[C-][C-]=[C-]1
Computed Properties
- Exact Mass: 309.938707
- Monoisotopic Mass: 309.938707
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 174
- Covalently-Bonded Unit Count: 5
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 57.2
Experimental Properties
- PSA: 42.37000
- LogP: 2.74580
Iron,(benzenecarbothioato-kS)dicarbonyl(h5-2,4-cyclopentadien-1-yl)- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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