Cas no 15037-20-4 (Iron,tris(L-cysteinato-kN,kO)- (9CI))
15037-20-4 structure
Product Name:Iron,tris(L-cysteinato-kN,kO)- (9CI)
CAS No:15037-20-4
MF:C9H15FeN3O6S3
MW:413.271899461746
CID:192323
PubChem ID:102586327
Update Time:2025-04-19
Iron,tris(L-cysteinato-kN,kO)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Iron,tris(L-cysteinato-kN,kO)- (9CI)
- 2-amino-3-sulfanylpropanoate,iron(3+)
- Cysteine, iron(III) chelate
- 15037-20-4
-
- Inchi： 1S/3C3H6NO2S.Fe/c3*4-2(1-7)3(5)6;/h3*2,4,7H,1H2,(H,5,6);/q3*-1;+6/p-3
- InChI Key： BFLUFENHSOWXTR-UHFFFAOYSA-K
- SMILES： [Fe+6].SCC(C(=O)[O-])[NH-].SCC(C(=O)[O-])[NH-].SCC(C(=O)[O-])[NH-]
Computed Properties
- Exact Mass: 413.97554
- Monoisotopic Mass: 415.970714
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 69.8
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 201
Experimental Properties
- Boiling Point: 293.9°C at 760 mmHg
- Flash Point: 131.5°C
- PSA: 198.45
Iron,tris(L-cysteinato-kN,kO)- (9CI) Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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