Cas no 85320-76-9 (3-(Aminocarbothioyl)pyridinium-1-olate)
85320-76-9 structure
Product Name:3-(Aminocarbothioyl)pyridinium-1-olate
CAS No:85320-76-9
MF:C6H6N2OS
MW:154.189639568329
CID:734174
PubChem ID:2799680
Update Time:2025-04-19
3-(Aminocarbothioyl)pyridinium-1-olate Chemical and Physical Properties
Names and Identifiers
-
- 3-(Aminocarbothioyl)pyridinium-1-olate
- 1-oxidopyridin-1-ium-3-carbothioamide
- 1-oxidopyridine-5-carbothioamide
- 1-oxy-thionicotinic acid amide
- 1-Oxy-thionicotinsaeure-amid
- 3-(aminothioxomethyl)pyridin-1-ol
- HMS3091H17
- AKOS006229227
- NSC-823046
- CHEMBL1703653
- DTXSID10384101
- NSC-18389
- 1-oxidanidylpyridin-1-ium-3-carbothioamide
- SMR001548063
- FT-0613712
- A841291
- 3-Carbamothioylpyridine 1-oxide
- NSC18389
- NSC823046
- MLS002638591
- 1-oxido-3-pyridin-1-iumcarbothioamide
- 1-Oxo-1lambda~5~-pyridine-3-carbothioamide
- 85320-76-9
-
- Inchi： 1S/C6H6N2OS/c7-6(10)5-2-1-3-8(9)4-5/h1-4H,(H2,7,10)
- InChI Key： DGQCWSAUVSDDOG-UHFFFAOYSA-N
- SMILES： S=C(C1=CC=C[N+](=C1)[O-])N
Computed Properties
- Exact Mass: 154.02000
- Monoisotopic Mass: 154.02
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 140
- 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: -0.7
- Topological Polar Surface Area: 83.6?2
Experimental Properties
- Density: 1.35
- Melting Point: 250 °C
- Boiling Point: 424.9°Cat760mmHg
- Flash Point: 210.8°C
- Refractive Index: 1.652
- PSA: 83.57000
- LogP: 1.44960
3-(Aminocarbothioyl)pyridinium-1-olate Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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