Cas no 106135-29-9 (1H-Benzimidazole-2-sulfonic acid, 5-(aminocarbonyl)-)
106135-29-9 structure
Product Name:1H-Benzimidazole-2-sulfonic acid, 5-(aminocarbonyl)-
CAS No:106135-29-9
MF:C8H7N3O4S
MW:241.223880052567
CID:1174754
PubChem ID:13682666
Update Time:2025-04-20
1H-Benzimidazole-2-sulfonic acid, 5-(aminocarbonyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Benzimidazole-2-sulfonic acid, 5-(aminocarbonyl)-
- SCHEMBL16134512
- DTXSID601229552
- 106135-29-9
- 6-(Aminocarbonyl)-1H-benzimidazole-2-sulfonic acid
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- Inchi: 1S/C8H7N3O4S/c9-7(12)4-1-2-5-6(3-4)11-8(10-5)16(13,14)15/h1-3H,(H2,9,12)(H,10,11)(H,13,14,15)
- InChI Key: LAXWNLJDVGOOQI-UHFFFAOYSA-N
- SMILES: S(C1=NC2C=CC(C(N)=O)=CC=2N1)(=O)(=O)O
Computed Properties
- Exact Mass: 241.01572689g/mol
- Monoisotopic Mass: 241.01572689g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 391
- 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: -0.6
- Topological Polar Surface Area: 135?2
1H-Benzimidazole-2-sulfonic acid, 5-(aminocarbonyl)- Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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