3-Amino-2-butenethioamide

Base Information

• Chemical Name: 3-Amino-2-butenethioamide
• CAS No.: 62069-87-8
• Molecular Formula: C4H8N2S
• Molecular Weight: 116.187
• Hs Code.: 2930909090
• European Community (EC) Number: 611-902-4,633-093-7
• DSSTox Substance ID: DTXSID90423007
• Wikidata: Q76324703
• Mol file: 62069-87-8.mol

Synonyms:3-Amino-2-butenethioamide;62069-87-8;3-aminobut-2-enethioamide;(Z)-3-aminobut-2-enethioamide;3-Amino-but-2-enethioic acid amide;2-Butenethioamide, 3-amino-, (Z)-;59846-46-7;SCHEMBL753639;3-aminothiocrotonic acid amide;SCHEMBL16743265;DTXSID90423007;AKOS005260114;EN300-129851

Chemical Property of 3-Amino-2-butenethioamide

Chemical Property:

• Vapor Pressure: 0.173mmHg at 25°C
• Melting Point: 135-138 °C(lit.)
• Refractive Index: 1.611
• Boiling Point: 212.5 °C at 760 mmHg
• Flash Point: 82.3 °C
• PSA: 84.13000
• Density: 1.158 g/cm³
• LogP: 1.53560
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 116.04081944
• Heavy Atom Count: 7
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

3-AMINO-2-BUTENETHIOAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC(=S)N)N
• Isomeric SMILES: C/C(=C/C(=S)N)/N

Technology Process of 3-Amino-2-butenethioamide

There total 2 articles about 3-Amino-2-butenethioamide 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:

3-Aminocrotononitrile (1118-61-2) → β-aminothiocrotonic acid amide (62069-87-8)

Guidance literature:

With pyridine; hydrogen sulfide;

DOI:10.1039/jr9590003061

Reference yield:

→ β-aminothiocrotonic acid amide (62069-87-8)

Guidance literature:

CH3-C(NH2)=CH-CN, KOH, H2S;

DOI:10.1055/s-1979-28685

Reference yield: 95.0%

β-aminothiocrotonic acid amide (62069-87-8) + dimethyl acetylenedicarboxylate (762-42-5) → 2-(2-aminopropenylidene)-5-carbomethoxymethylenethiazolin-4-one (97969-44-3)

Guidance literature:

In acetone; at 20 ℃; for 0.5h;

upstream raw materials:

3-Aminocrotononitrile

Downstream raw materials:

3-methyl-5-aminothiazole

N-(3-methyl-isothiazol-5-yl)-acetamide

4-phenyl-5-ethoxycarbonyl-2,6-dimethyl-3-thiocarbamoyl-1,4-dihydropyridine

2-(2-aminopropenylidene)-6-phenyl-1,3-thiazin-4-one

Refernces