CID 2783697

Base Information

• Chemical Name: CID 2783697
• CAS No.: 25985-57-3
• Molecular Formula: C3H8N2O3S2
• Molecular Weight: 184.24
• Hs Code.: 2930909090
• Mol file: 25985-57-3.mol

Synonyms:

Chemical Property of CID 2783697

Chemical Property:

• Melting Point: 209-270 °C
• PKA: 1.08±0.50(Predicted)
• PSA: 137.92000
• Density: 1.73 g/cm³
• LogP: 1.38170
• Storage Temp.: Refrigerator
• Solubility.: Methanol (Slightly, Heated, Sonicated), Water (Slightly, Heated)
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 183.99763447
• Heavy Atom Count: 10
• Complexity: 185

Purity/Quality:

99.9% ^*data from raw suppliers

2-(2-Sulfoethyl)pseudourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CS(=O)(=O)[O-])SC(=[NH2+])N
• Uses: 2-(2-Sulfoethyl)pseudourea (Mesna EP Impurity A) is an impurity of Mesna (M225750). An amidinosulfonate used in dyes, topical compositions in cosmetics as well as in formulations of gray hair-preventing agents. 2-(AMIDINOTHIO)ETHANESULFONIC ACID is an impurity of Mesna (M225750). An amidinosulfonate used in dyes, topical compositions in cosmetics as well as in formulations of gray hair-preventing agents.

Technology Process of CID 2783697

There total 1 articles about CID 2783697 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:

thiourea (17356-08-0) → 2-(S-thiouronium)ethanesulfonate (25985-57-3)

Guidance literature:

With water;

DOI:10.1021/ja01628a052

Reference yield:

N-[m-(α-amino-m-toluamido)benzoyl]-β-alanine (135320-81-9) + 2-(S-thiouronium)ethanesulfonate (25985-57-3) → N-[m-(α-guanidino-m-toluamido)benzoyl]-β-alanine (135320-82-0)

Guidance literature:

In sodium hydroxide; water;

Reference yield:

2-(S-thiouronium)ethanesulfonate (25985-57-3) + methyl iodide (74-88-4) → 2-(Methylthio)-aethansulfonsaeure (53501-90-9)

Guidance literature:

With sodium hydroxide;

upstream raw materials:

thiourea

Downstream raw materials:

2-(Methylthio)-aethansulfonsaeure

N-[m-(α-guanidino-m-toluamido)benzoyl]-β-alanine