2-(Carbamimidoylthio)acetic acid; chlorine

Base Information

• Chemical Name: 2-(Carbamimidoylthio)acetic acid; chlorine
• CAS No.: 5425-78-5
• Molecular Formula: C3H6N2O2S.ClH
• Molecular Weight: 170.62
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80694082
• Mol file: 5425-78-5.mol

Synonyms:2-(carbamimidoylthio)acetic acid; chlorine;DTXSID80694082;2-carbamimidoylsulfanylethanoic acid;chlorine;A830071;(Carbamimidoylsulfanyl)acetic acid--chloranyl (1/1)

Chemical Property of 2-(Carbamimidoylthio)acetic acid; chlorine

Chemical Property:

• Boiling Point: 307.9 °C at 760 mmHg
• Flash Point: 140 °C
• PSA: 112.47000
• Density: 1.61 g/cm3
• LogP: 1.68980
• Storage Temp.: -20°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 168.9838513
• Heavy Atom Count: 9
• Complexity: 114

Purity/Quality:

98% ^*data from raw suppliers

2-?[(Aminoiminomethyl)?thio]?-?aceticacidHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)O)SC(=N)N.[Cl]
• Uses: ATP, lithium salt has been used as a component in:loading bufferin vitro transcription reaction mixtureligation mix

Technology Process of 2-(Carbamimidoylthio)acetic acid; chlorine

There total 1 articles about 2-(Carbamimidoylthio)acetic acid; chlorine 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) + chloroacetic acid (79-11-8) → 2-{[amino(imino)methyl]sulfanyl}acetic acid (7404-50-4) + carboxymethylisothiourea hydrochloride (5425-78-5) + pseudothiohydantoin (556-90-1)

Guidance literature:

In water; at 25 ℃; Rate constant;

Reference yield: 75.0%

carboxymethylisothiourea hydrochloride (5425-78-5) → 2-Amino-4-thiazolinone hydrochloride (2192-06-5)

Guidance literature:

In acetone; Heating;

Reference yield:

water (7732-18-5) + chlorine (7782-50-5) + carboxymethylisothiourea hydrochloride (5425-78-5) → sulfoacetic acid (123-43-3)

Guidance literature:

at 0 ℃;

DOI:10.1021/ja01290a098

upstream raw materials:

thiourea

chloroacetic acid

Downstream raw materials:

sulfoacetic acid

2-Amino-4-thiazolinone hydrochloride

Refernces