Cas no 52961-33-8 (1H-Imidazole-5-methanol, 1-[(4-methylphenyl)sulfonyl]-)
![1H-Imidazole-5-methanol, 1-[(4-methylphenyl)sulfonyl]- structure](https://ossimg.kuujia.com/scimg/53000/52961-33-8x500.png)
52961-33-8 structure
Product Name:1H-Imidazole-5-methanol, 1-[(4-methylphenyl)sulfonyl]-
CAS No:52961-33-8
MF:C11H12N2O3S
MW:252.289581298828
CID:358366
PubChem ID:382151
Update Time:2025-04-19
1H-Imidazole-5-methanol, 1-[(4-methylphenyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- [3-(4-methylphenyl)sulfonylimidazol-4-yl]methanol
- 1H-Imidazole-5-methanol, 1-[(4-methylphenyl)sulfonyl]-
- DTXSID40327602
- SCHEMBL8527599
- NSC669597
- 52961-33-8
- NCI60_024275
- CHEMBL2000678
- XPYGFPAXOSJDKI-UHFFFAOYSA-N
- NSC-669597
- 1-tosylimidazol-5-ylmethanol
- [3-(p-tolylsulfonyl)imidazol-4-yl]methanol
- (1-((4-Methylphenyl)sulfonyl)-1H-imidazol-5-yl)methanol
-
- Inchi： 1S/C11H12N2O3S/c1-9-2-4-11(5-3-9)17(15,16)13-8-12-6-10(13)7-14/h2-6,8,14H,7H2,1H3
- InChI Key： XPYGFPAXOSJDKI-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(N1C=NC=C1CO)(=O)=O
Computed Properties
- Exact Mass: 252.05696
- Monoisotopic Mass: 252.05686342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 344
- 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: 0.8
- Topological Polar Surface Area: 80.6?2
Experimental Properties
- PSA: 72.19
1H-Imidazole-5-methanol, 1-[(4-methylphenyl)sulfonyl]- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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