Cas no 99951-96-9 (5-Hydrazinyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid)
99951-96-9 structure
Product Name:5-Hydrazinyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
CAS No:99951-96-9
MF:C6H8N4O2S
MW:200.218318939209
CID:870857
PubChem ID:45089554
Update Time:2025-04-19
5-Hydrazinyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 4-Pyrimidinecarboxylicacid,5-hydrazino-2-(methylthio)-(9CI)
- 5-hydrazinyl-2-methylsulfanylpyrimidine-4-carboxylic acid
- 5-Hydrazinyl-2-(methylthio)pyrimidine-4-carboxylicacid
- DTXSID70666495
- 99951-96-9
- 5-Hydrazinyl-2-(methylthio)pyrimidine-4-carboxylic acid
- 5-Hydrazinyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
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- Inchi： 1S/C6H8N4O2S/c1-13-6-8-2-3(10-7)4(9-6)5(11)12/h2,10H,7H2,1H3,(H,11,12)
- InChI Key： AWEQMEKQYUYUQQ-UHFFFAOYSA-N
- SMILES： S(C)C1=NC=C(C(C(=O)O)=N1)NN
Computed Properties
- Exact Mass: 200.03679668g/mol
- Monoisotopic Mass: 200.03679668g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 192
- 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: -1.6
- Topological Polar Surface Area: 126?2
5-Hydrazinyl-2-(methylsulfanyl)pyrimidine-4-carboxylic acid Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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