(S)-2-Aminopropylsulfonic acid

Base Information

• Chemical Name: (S)-2-Aminopropylsulfonic acid
• CAS No.: 126301-30-2
• Molecular Formula: C₃H₉NO₃S
• Molecular Weight: 139.175
• DSSTox Substance ID: DTXSID40925501
• Nikkaji Number: J788.345E
• Mol file: 126301-30-2.mol

Synonyms:126301-30-2;(2S)-2-aminopropane-1-sulfonic acid;(S)-2-Methyltaurine;(2S)-2-azaniumylpropane-1-sulfonate;(S)-2-AMINOPROPYLSULFONIC ACID;SCHEMBL6946806;DTXSID40925501;AKOS006339153

Chemical Property of (S)-2-Aminopropylsulfonic acid

Chemical Property:

• Refractive Index: 1.5480 (estimate)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 88.77000
• Density: 1.382g/cm³
• LogP: 1.00250
• XLogP3: -3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 139.03031432
• Heavy Atom Count: 8
• Complexity: 144

Purity/Quality:

97% ^*data from raw suppliers

(S)-2-AMINOPROPYLSULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CS(=O)(=O)O)N
• Isomeric SMILES: C[C@@H](CS(=O)(=O)O)N

Technology Process of (S)-2-Aminopropylsulfonic acid

There total 5 articles about (S)-2-Aminopropylsulfonic 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: 94.0%

(S)-4-methyl-1,3-thiazolidine-2-thione (42163-67-7) → (S)-2-aminopropane-1-sulfonic acid (7297-06-5,126301-35-7,126301-30-2)

Guidance literature:

With formic acid; dihydrogen peroxide; In water; at 0 - 5 ℃;

DOI:10.1002/ejoc.200900759

Reference yield: 87.0%

(S)-2-methylaziridine (52340-20-2) → (S)-2-aminopropane-1-sulfonic acid (7297-06-5,126301-35-7,126301-30-2)

Guidance literature:

With sodium hydrogensulfite; In ethanol; water; for 24h;

DOI:10.1016/S0957-4166(02)00312-9

Reference yield: 82.0%

(S)-2-aminopropanol methanesulfonate hydrochloride (126301-21-1) → (S)-2-aminopropane-1-sulfonic acid (7297-06-5,126301-35-7,126301-30-2)

Guidance literature:

With sodium sulfite; In water; for 20h; Ambient temperature;

upstream raw materials:

(S)-2-aminopropanol methanesulfonate hydrochloride

(S)-2-methylaziridine

(S)-4-methyl-1,3-thiazolidine-2-thione

Downstream raw materials:

C₁₁H₁₅NO₅S