Cas no 918810-53-4 (1,3-Benzenedisulfonamide, 5-(aminomethyl)-)
918810-53-4 structure
Product Name:1,3-Benzenedisulfonamide, 5-(aminomethyl)-
CAS No:918810-53-4
MF:C7H11N3O4S2
MW:265.309938669205
CID:770707
PubChem ID:58789271
Update Time:2025-04-19
1,3-Benzenedisulfonamide, 5-(aminomethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedisulfonamide, 5-(aminomethyl)-
- 5-(aminomethyl)benzene-1,3-disulfonamide
- 918810-53-4
- DTXSID00730092
- SCHEMBL4610986
-
- Inchi： 1S/C7H11N3O4S2/c8-4-5-1-6(15(9,11)12)3-7(2-5)16(10,13)14/h1-3H,4,8H2,(H2,9,11,12)(H2,10,13,14)
- InChI Key： BCLMDXPEQCHBQU-UHFFFAOYSA-N
- SMILES： S(C1C=C(CN)C=C(C=1)S(N)(=O)=O)(N)(=O)=O
Computed Properties
- Exact Mass: 265.01909819g/mol
- Monoisotopic Mass: 265.01909819g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 393
- 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: -2.1
- Topological Polar Surface Area: 163?2
1,3-Benzenedisulfonamide, 5-(aminomethyl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
918810-53-4 (1,3-Benzenedisulfonamide, 5-(aminomethyl)-) Related Products
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