4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid

Base Information

Chemical Name:4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid
CAS No.:148720-11-0
Molecular Formula:C10H10N2O2S
Molecular Weight:222.26
Hs Code.:2933290090
DSSTox Substance ID:DTXSID90376988
Wikidata:Q82165981
Mol file:148720-11-0.mol

Synonyms:148720-11-0;4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid;4-(2-Mercapto-4,5-dihydro-1H-imidazol-1-yl)benzoic acid;4-(2-Sulfanyl-4,5-dihydro-1H-imidazol-1-yl)-benzenecarboxylic acid;4-(2-Mercapto-4,5-dihydro-1H-imidazol-1-yl)benzoicacid;4-(2-sulfanyl-4,5-dihydro-1H-imidazol-1-yl)benzoic acid;4-(2-sulfanyl-4,5-dihydro-1H-imidazol-1-yl)benzenecarboxylic acid;DTXSID90376988;MFCD00664192;AKOS005069841;1J-934;A910967;J-513314;4-(2-sulfanyl-4,5-dihydro-1H-imidazol-1-yl)benzenecarboxylic acid, AldrichCPR

Suppliers and Price of 4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Matrix Scientific
4-(2-Sulfanyl-4,5-dihydro-1H-imidazol-1-yl)-benzenecarboxylic acid >95%
1g
$ 304.00

Matrix Scientific
4-(2-Sulfanyl-4,5-dihydro-1H-imidazol-1-yl)-benzenecarboxylic acid >95%
500mg
$ 244.00

Matrix Scientific
4-(2-Sulfanyl-4,5-dihydro-1H-imidazol-1-yl)-benzenecarboxylic acid >95%
5g
$ 698.00

Crysdot
4-(2-Mercapto-4,5-dihydro-1H-imidazol-1-yl)benzoicacid 97%
5g
$ 432.00

American Custom Chemicals Corporation
4-(2-SULFANYL-4,5-DIHYDRO-1H-IMIDAZOL-1-YL)BENZENECARBOXYLIC ACID 95.00%
5MG
$ 504.22

Total 3 raw suppliers

Chemical Property of 4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid

Chemical Property:

Melting Point:260-270°C
PSA：91.70000
LogP:0.99120
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:222.04629874
Heavy Atom Count:15
Complexity:275

Purity/Quality:

97% ^*data from raw suppliers

4-(2-Sulfanyl-4,5-dihydro-1H-imidazol-1-yl)-benzenecarboxylic acid >95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(C(=S)N1)C2=CC=C(C=C2)C(=O)O

Technology Process of 4-(2-sulfanylideneimidazolidin-1-yl)benzoic Acid

There total 1 articles about 4-(2-sulfanylideneimidazolidin-1-yl)benzoic 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: 96.9%

: 75-15-0,12122-00-8
carbon disulfide

: 4-(2-aminoethylamino)benzoic acid dihydrochloride

: 148720-11-0
4-(2-imidazoline-2-mercapto-1-yl)benzoic acid

Guidance literature:: With potassium hydroxide; In ethanol; water; for 18h; Heating;
DOI:10.1248/cpb.41.117

Reference yield: 84.4%

: 148720-11-0
4-(2-imidazoline-2-mercapto-1-yl)benzoic acid

: 74-88-4
methyl iodide

: 148720-12-1
4-(2-thiomethyl-1-imidazolynyl)benzoic acid

Guidance literature:: With sodium hydrogencarbonate; In N,N-dimethyl-formamide; for 5h; Ambient temperature;
DOI:10.1248/cpb.41.117

Reference yield:

: 148720-11-0
4-(2-imidazoline-2-mercapto-1-yl)benzoic acid

: 4-(2-amino-1-imidazolynyl)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 84.4 percent / NaHCO₃ / dimethylformamide / 5 h / Ambient temperature

2: liq. NH₃ / methanol / 18 h / 60 °C

With ammonia; sodium hydrogencarbonate; In methanol; N,N-dimethyl-formamide;
DOI:10.1248/cpb.41.117