Cas no 596131-59-8 (1,3-dihydro-1-methyl-5-nitro-2H-Benzimidazole-2-thione)
596131-59-8 structure
Product Name:1,3-dihydro-1-methyl-5-nitro-2H-Benzimidazole-2-thione
CAS No:596131-59-8
MF:C8H7N3O2S
MW:209.225079774857
CID:1114654
Update Time:2024-07-24
1,3-dihydro-1-methyl-5-nitro-2H-Benzimidazole-2-thione Chemical and Physical Properties
Names and Identifiers
-
- 1,3-dihydro-1-methyl-5-nitro-2H-Benzimidazole-2-thione
- 2H-Benzimidazole-2-thione, 1,3-dihydro-1-methyl-5-nitro-
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- Inchi： 1S/C8H7N3O2S/c1-10-7-3-2-5(11(12)13)4-6(7)9-8(10)14/h2-4H,1H3,(H,9,14)
- InChI Key： FZIAMXGBPCWMEX-UHFFFAOYSA-N
- SMILES： C1(=S)N(C)C2=CC=C([N+]([O-])=O)C=C2N1
Computed Properties
- Exact Mass: 209.02601
Experimental Properties
- Density: 1.54±0.1 g/cm3(Predicted)
- Melting Point: 304-305 °C (decomp)
- Boiling Point: 341.9±44.0 °C(Predicted)
- PSA: 58.41
- pka: 10.12±0.30(Predicted)
1,3-dihydro-1-methyl-5-nitro-2H-Benzimidazole-2-thione Related Literature
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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