1-Propene, 1-(methylthio)-, (Z)-

Base Information

• Chemical Name: 1-Propene, 1-(methylthio)-, (Z)-
• CAS No.: 52195-40-1
• Molecular Formula: C4H8S
• Molecular Weight: 88.1735
• Hs Code.: 2930909090
• UNII: JL63YZ7G96
• DSSTox Substance ID: DTXSID501015958
• Nikkaji Number: J104.452D
• Wikidata: Q27160225
• Mol file: 52195-40-1.mol

Synonyms:1-Propene, 1-(methylthio)-, (Z)-;Z-1-Methylthio-1-propene;(Z)-Methyl 1-propenyl sulfide;52195-40-1;(Z)-1-methylsulfanylprop-1-ene;Methyl 1-propenyl sulfide, (1Z)-;Methyl 1-propenyl sulfide, (2Z)-;UNII-JL63YZ7G96;FEMA No. 4574, (1Z)-;JL63YZ7G96;1-Propene, 1-(methylthio)-, (1Z)-;(Z)-1-(Methylthio)-1-propene;(1Z)-1-(Methylsulfanyl)-1-propene;(Z)-2-Thia-3-pentene;cis-Methyl propenyl sulfide;(1Z)-methyl 1-propenyl sulfide;CHEBI:88380;YJOGCMRDEUBRJD-ARJAWSKDSA-N;DTXSID501015958;Q27160225

Chemical Property of 1-Propene, 1-(methylthio)-, (Z)-

Chemical Property:

• PSA: 25.30000
• LogP: 1.88300
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 88.03467143
• Heavy Atom Count: 5
• Complexity: 30.6

Purity/Quality:

99% ^*data from raw suppliers

Z-1-Methylthio-1-propene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC=CSC
• Isomeric SMILES: C/C=C\SC
• Uses: Z-1-Methylthio-1-propene, can be used for the study of structure- stability relationships in unsaturated sulfur compounds. It is also one of the volatile organic components of onion.

Technology Process of 1-Propene, 1-(methylthio)-, (Z)-

There total 3 articles about 1-Propene, 1-(methylthio)-, (Z)- 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:

Dimethyldisulphide (624-92-0) + allyl bromide (106-95-6) → allylmethyl sulfide (10152-76-8) + Methyl (Z)-1-propenyl sulfide (52195-40-1) + 3-(methylthio)-(E)-2-propenoate (42848-06-6)

Guidance literature:

With potassium hydroxide; hydrazine hydrate; Yield given. Multistep reaction. Title compound not separated from byproducts; 1) 90-110 deg C, 2 h;

DOI:10.1007/BF01433766

Reference yield:

propionaldehyde dimethyl thioacetal (57093-94-4) → Methyl (Z)-1-propenyl sulfide (52195-40-1) + 3-(methylthio)-(E)-2-propenoate (42848-06-6)

Guidance literature:

nickel; at 300 ℃; Yield given. Yields of byproduct given;

DOI:10.1021/ja00542a001

Reference yield:

1-(methylthio)propan-2-ol (6943-87-9) → Methyl (Z)-1-propenyl sulfide (52195-40-1) + 3-(methylthio)-(E)-2-propenoate (42848-06-6)

Guidance literature:

With potassium hydroxide; at 220 - 250 ℃;

upstream raw materials:

1-(methylthio)propan-2-ol

propionaldehyde dimethyl thioacetal

Dimethyldisulphide

allyl bromide

Downstream raw materials:

3-(methylthio)-(E)-2-propenoate

allylmethyl sulfide