4-(3-Methoxypropyl)-3-thiosemicarbazide

Base Information

• Chemical Name: 4-(3-Methoxypropyl)-3-thiosemicarbazide
• CAS No.: 71058-32-7
• Molecular Formula: C₅H₁₃N₃OS
• Molecular Weight: 163.244
• Hs Code.: 2930909090
• European Community (EC) Number: 674-118-1
• DSSTox Substance ID: DTXSID90365256
• Wikidata: Q82149775
• Mol file: 71058-32-7.mol

Synonyms:71058-32-7;4-(3-Methoxypropyl)-3-thiosemicarbazide;1-amino-3-(3-methoxypropyl)thiourea;N-(3-Methoxypropyl)hydrazinecarbothioamide;3-amino-1-(3-methoxypropyl)thiourea;Hydrazinecarbothioamide,N-(3-methoxypropyl)-;SCHEMBL5432862;DTXSID90365256;FNQQONLDFCKUTC-UHFFFAOYSA-N;WCA05832;4-(3-methoxypropyl)thiosemicarbazide;MFCD00060598;1-azanyl-3-(3-methoxypropyl)thiourea;AKOS001073115;SB86452;4-(3-Methoxy-n-propyl)-3-thiosemicarbazide;CS-0219448;FT-0682100;4-(3-methoxy -n-propyl)-3-thiosemicarbazide;EN300-04051;A837061;4-(3-methoxypropyl)-3-thiosemicarbazide, AldrichCPR;Z56886499

Chemical Property of 4-(3-Methoxypropyl)-3-thiosemicarbazide

Chemical Property:

• Vapor Pressure: 0.0146mmHg at 25°C
• Melting Point: 37-40 °C
• Refractive Index: 1.538
• Boiling Point: 257.4 °C at 760 mmHg
• PKA: 10.69±0.70(Predicted)
• Flash Point: 109.5 °C
• PSA: 91.40000
• Density: 1.135 g/cm³
• LogP: 0.84280
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 163.07793322
• Heavy Atom Count: 10
• Complexity: 98.9

Purity/Quality:

97% ^*data from raw suppliers

4-(3-Methoxypropyl)-3-thiosemicarbazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCCCNC(=S)NN

Technology Process of 4-(3-Methoxypropyl)-3-thiosemicarbazide

There total 1 articles about 4-(3-Methoxypropyl)-3-thiosemicarbazide 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:

C6H13NS2O (75029-21-9) → 4-(3-methoxy-propyl)-thiosemicarbazide (71058-32-7)

Guidance literature:

With hydrazine hydrate; In 2-methoxy-ethanol; at 80 ℃;

DOI:10.1016/j.bmcl.2007.05.085

Reference yield:

4-(3-methoxy-propyl)-thiosemicarbazide (71058-32-7) + 3-methylisothiazole-5-carboxyaldehyde (88511-32-4) → 5-Formyl-3-methyl-isothiazol-<4-(3-methoxy-propyl)-thiosemicarbazon> (3683-47-4)

Guidance literature:

With acetic acid; In ethanol; Heating;

DOI:10.1021/jm00329a027

Reference yield:

4-(3-methoxy-propyl)-thiosemicarbazide (71058-32-7) + 4-cyanobenzaldehyde (105-07-7) → C13H16N4OS (40104-21-0)

Guidance literature:

With hydrogen cation; In ethanol;

upstream raw materials:

C₆H₁₃NS₂O

Downstream raw materials:

5-Formyl-3-methyl-isothiazol-<4-(3-methoxy-propyl)-thiosemicarbazon>

C₁₃H₁₆N₄OS