Amino(imino)methanesulfonic acid

Base Information

• Chemical Name: Amino(imino)methanesulfonic acid
• CAS No.: 1184-90-3
• Molecular Formula: CH4N2O3S
• Molecular Weight: 124.12
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID60152115
• Nikkaji Number: J227.948G
• Wikidata: Q83018713
• Mol file: 1184-90-3.mol

Synonyms:amino(imino)methanesulfonic acid;1184-90-3;Aminoiminomethanesulfonic acid;Formamidinesulfonic acid;Imino(amino)methanesulfonic acid;Methanesulfonic acid, aminoimino-;CH4N2O3S;Formamidinosulfonic acid;formamidine sulfonic acid;SCHEMBL93891;amino(imino)methanesulfonicacid;amino-iminomethane sulphonic acid;DTXSID60152115;AOPRFYAPABFRPU-UHFFFAOYSA-N;C-H4-N2-O3-S;GEO-04332;AKOS006340256;DS-12160;CS-0134092;FT-0661869;C71584;J-003762;[1-Methyl-5-bis(2'-hydroxyethyl)aminobenzimidazolyl-2]butanoic Acid Ethyl Ester-d3

Chemical Property of Amino(imino)methanesulfonic acid

Chemical Property:

• Melting Point: 132-134℃ (decomposition)
• Refractive Index: 1.591
• PKA: 7.74±0.40(Predicted)
• PSA: 101.13000
• Density: 1.846g/cm³
• LogP: 0.55730
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: DMSO (Very Slightly), Methanol (Slightly, Heated)
• XLogP3: -1.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 123.99426317
• Heavy Atom Count: 7
• Complexity: 162

Purity/Quality:

98%,99%, ^*data from raw suppliers

AminoiminomethanesulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=N)(N)S(=O)(=O)O
• Uses: AMinoiMinoMethanesulfonic Acid can be used to prepare Guanidine derivatives.

Technology Process of Amino(imino)methanesulfonic acid

There total 17 articles about Amino(imino)methanesulfonic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.6%

1-chloro-1-thio-diaminomethane → aminoiminomethanesulfonic acid (1184-90-3)

Guidance literature:

1-chloro-1-thio-diaminomethane; With diethyleneglycol diacetate; potassium bromide; N-bromoacetamide; at 21 ℃; for 2h;

With nickel(II) nitrate; for 4h; Temperature;

Reference yield: 97.0%

Aminoiminomethanesulfinic acid (1758-73-2) → aminoiminomethanesulfonic acid (1184-90-3)

Guidance literature:

With peracetic acid; In acetic acid; 1.) at addition below 20 deg C, 2.) after addition room temp. 2 h.;

DOI:10.1016/0040-4039(88)85116-5

Reference yield: 83.0%

thiourea (17356-08-0) → aminoiminomethanesulfonic acid (1184-90-3)

Guidance literature:

With peracetic acid; In methanol; for 24h; Ambient temperature;

DOI:10.1055/s-1986-31777

upstream raw materials:

peracetic acid

acetic acid

Aminoiminomethanesulfinic acid

thiourea

Downstream raw materials:

4-guanidinobutyric acid

zanamivir

2-Acetylamino-2-(3-guanidino-benzyl)-malonic acid diethyl ester

Refernces

• 1、 Boeeseken. "-". . . Retrieved 1938.
• 2、 Thompson, Andrew,Schaefer, Juergen,Kuhn, Karsten,Kienle, Stefan,Schwarz, Josef,Schmidt, Guenter,Neumann, Thomas,Hamon, Christian. "Tandem mass tags: A novel quantification strategy for comparative analysis of complex protein mixtures by MS/MS". . p. 1895 - 1904. Retrieved 2003.
• 3、 Chatterjee, Debabrata,Rothbart, Sabine,Van Eldik, Rudi. "Selective oxidation of thiourea with H2O2 catalyzed by [RuIII(edta)(H2O)]-: Kinetic and mechanistic studies". . p. 4725 - 4729. Retrieved 2013.
• 4、 Pan,Pan. "A facile synthesis of aminoiminomethanesulfonic acid". . p. 2891 - 2893. Retrieved 2001.
• 5、 Chinake, Cordelia, R.,Simoyi, Reuben H.. "New Experimental Data on the Chlorite-Thiourea Reaction". . p. 11569 - 11570. Retrieved 1993.
• 6、 Li, Zhenyu,Yu, Fang,Zhan, Peng,Shen, Yuemao,Liu, Xinyong,Cui, Lei,Wang, Shouxun. "Ligustrazine derivatives. Part 6: Design, synthesis and evaluation of novel ligustrazinyl acylguanidine derivatives as potential cardiovascular agents". . p. 928 - 933,6. Retrieved 2020/08/31.