1-Allyl-3-(2-hydroxyethyl)-2-thiourea

Base Information

• Chemical Name: 1-Allyl-3-(2-hydroxyethyl)-2-thiourea
• CAS No.: 105-81-7
• Molecular Formula: C6H12N2OS
• Molecular Weight: 160.24
• Hs Code.: 2930909090
• European Community (EC) Number: 203-334-7
• NSC Number: 70444
• DSSTox Substance ID: DTXSID0059324
• Nikkaji Number: J56.147I
• Wikidata: Q26840884
• ChEMBL ID: CHEMBL1610103
• Mol file: 105-81-7.mol

Synonyms:105-81-7;1-Allyl-3-(2-hydroxyethyl)-2-thiourea;1-Allyl-3-(2-hydroxyethyl)thiourea;N-Allyl-N'-(2-hydroxyethyl)thiourea;Thiourea, N-(2-hydroxyethyl)-N'-2-propenyl-;1-(2-hydroxyethyl)-3-prop-2-enylthiourea;N-(2-Hydroxyethyl)-N'-2-propenylthiourea;Urea, 1-allyl-3-(2-hydroxyethyl)-2-thio-;EINECS 203-334-7;NSC 70444;N-(2-Hydroxyethyl)-N'-allylthiourea;BRN 1766401;N-Allyl-N'-(beta-hydroxyethyl)thiourea;C6H12N2OS;AI3-51115;MLS000736772;Thiourea,N-(2-hydroxyethyl)-N'-2-propen-1-yl-;3-04-00-00711 (Beilstein Handbook Reference);Thiourea, N-(2-hydroxyethyl)-N'-2-propen-1-yl-;n-allyl-n'-2-hydroxyethylthiourea;NSC70444;1-alyl-3-(2-hydroxyethyl)-2-thiourea;Maybridge1_007075;3-(2-hydroxyethyl)-1-(prop-2-en-1-yl)thiourea;SCHEMBL176403;CHEMBL1610103;DTXSID0059324;HMS561J13;VUVPNTYTOUGMDG-UHFFFAOYSA-N;HMS2884P03;STR05334;1-(2-Hydroxyethyl)-3-allylthiourea;MFCD00002838;NSC-70444;AKOS003267023;1-allyl-3-(2-hydroxyethyl)thiourinstof;3-(2-Hydroxyethyl)-1-allyl-2-thiourea;NCGC00246865-01;N-allyl-N'-(2-hydroxyethyl)thiocarbamide;SMR000528319;1-Allyl-3-.beta.-hydroxyethyl-2-thiourea;N-Allyl-N'-(.beta.-hydroxyethyl)thiourea;LS-158788;N-(Hydroxy-2 thyl) N'-propnyl-2 thioure;N-Allyl-N'-(.beta.-hydroxyethyl) thiourea;A0230;FT-0655705;D88231;N-(2-Hydroxyethyl)-N'-2-propen-1-ylthiourea;A801325;J-504171;Q26840884;2-{[(prop-2-en-1-yl)thio(carbonoimidyl)]amino}ethan-1-ol

Chemical Property of 1-Allyl-3-(2-hydroxyethyl)-2-thiourea

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: 76-78 °C(lit.)
• Boiling Point: 259.377 °C at 760 mmHg
• PKA: 13.50±0.70(Predicted)
• Flash Point: 110.667 °C
• PSA: 76.38000
• Density: 1.122 g/cm³
• LogP: 0.41060
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 160.06703418
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

98% ^*data from raw suppliers

2-Amino-4-bromothiophenol ^*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: C=CCNC(=S)NCCO
• Uses: 2-Amino-4-bromothiophenol is used to synthesize benzothiazolylalkylphthalazineacetic acid derivatives. It is also used to prepare 6-?bromo-?2,?3-?disubstituted-?4H-?1,?4-?benzothiazines.

Technology Process of 1-Allyl-3-(2-hydroxyethyl)-2-thiourea

There total 1 articles about 1-Allyl-3-(2-hydroxyethyl)-2-thiourea 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:

ethanolamine (141-43-5) + N-allyl isothiocyanate (57-06-7,58391-87-0) → 1-allyl-3-(2-hydroxyethyl)-2-thiourea (105-81-7)

Guidance literature:

With chloroform;

upstream raw materials:

ethanolamine

N-allyl isothiocyanate