Cas no 55825-25-7 (1,3-Benzenedisulfonamide,2-amino-5-methyl-)
55825-25-7 structure
Product Name:1,3-Benzenedisulfonamide,2-amino-5-methyl-
CAS No:55825-25-7
MF:C7H11N3O4S2
MW:265.309938669205
CID:384086
PubChem ID:294715
Update Time:2025-04-19
1,3-Benzenedisulfonamide,2-amino-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedisulfonamide,2-amino-5-methyl-
- 2-amino-5-methylbenzene-1,3-disulfonamide
- 2-amino-5-methyl-benzene-1,3-disulfonic acid diamide
- 2-Methyl-5-amino-benzoldisulfonsaeure-(4,6)-diamid
- 4-amino-toluenedisulfonamide-(3.5)
- 4-Amino-toluoldisulfonamid-(3.5)
- 4-Methyl-2,6-disulfamidoanilin
- AC1L6MIJ
- HMS2886F19
- NSC163632
- DTXSID70303934
- 55825-25-7
- CHEMBL1470635
- NSC-163632
- 2-amino-5-methyl-1,3-benzenedisulfonamide
- MLS000756320
- SMR000528677
-
- Inchi： 1S/C7H11N3O4S2/c1-4-2-5(15(9,11)12)7(8)6(3-4)16(10,13)14/h2-3H,8H2,1H3,(H2,9,11,12)(H2,10,13,14)
- InChI Key： DKPNGWJTAYHSCY-UHFFFAOYSA-N
- SMILES： S(C1C=C(C)C=C(C=1N)S(N)(=O)=O)(N)(=O)=O
Computed Properties
- Exact Mass: 265.01923
- Monoisotopic Mass: 265.019097
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 405
- 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
- Topological Polar Surface Area: 163
- XLogP3: -0.7
Experimental Properties
- Density: 1.599
- Boiling Point: 595.9°Cat760mmHg
- Flash Point: 314.2°C
- Refractive Index: 1.641
- PSA: 146.34
- LogP: 3.01540
1,3-Benzenedisulfonamide,2-amino-5-methyl- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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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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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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