Cas no 99700-94-4 (N-Methyl-N-(4-nitrophenyl)thiourea)
99700-94-4 structure
Product Name:N-Methyl-N-(4-nitrophenyl)thiourea
CAS No:99700-94-4
MF:C8H9N3O2S
MW:211.240959882736
CID:876536
PubChem ID:45118545
Update Time:2025-04-19
N-Methyl-N-(4-nitrophenyl)thiourea Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-1-(4-nitrophenyl)thiourea
- Thiourea, N-methyl-N-(4-nitrophenyl)-
- N-Methyl-N-(4-nitrophenyl)thiourea
- DTXSID10668771
- 99700-94-4
-
- Inchi： 1S/C8H9N3O2S/c1-10(8(9)14)6-2-4-7(5-3-6)11(12)13/h2-5H,1H3,(H2,9,14)
- InChI Key： YQVKBBZBJMYNOT-UHFFFAOYSA-N
- SMILES： S=C(N)N(C)C1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 211.042
- Monoisotopic Mass: 211.042
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 233
- 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: 107A^2
N-Methyl-N-(4-nitrophenyl)thiourea Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
99700-94-4 (N-Methyl-N-(4-nitrophenyl)thiourea) Related Products
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- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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