Cas no 625456-91-9 ()
structure
Product Name:
CAS No:625456-91-9
MF:C10H9ClN4OS
MW:268.722658872604
CID:6772579
PubChem ID:136029168
Update Time:2024-03-03
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C10H9ClN4OS/c1-4-2-5(11)3-6-7(4)13-9(16)8(6)14-15-10(12)17/h2-3,13,16H,1H3,(H2,12,17)/b15-14+
- InChI Key： JWOYEHHAFIQJFI-CCEZHUSRSA-N
- SMILES： ClC1C=C(C)C2=C(C=1)C(=C(N2)O)/N=N/C(N)=S
Computed Properties
- Exact Mass: 268.0185598g/mol
- Monoisotopic Mass: 268.0185598g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 340
- 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: 3
- Topological Polar Surface Area: 119?2
Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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5. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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