4-Carbamothioylbenzoic acid

Base Information

Chemical Name:4-Carbamothioylbenzoic acid
CAS No.:4989-36-0
Molecular Formula:C8H7NO2S
Molecular Weight:181.215
Hs Code.:2930909090
ChEMBL ID:CHEMBL3596572
DSSTox Substance ID:DTXSID60588213
Nikkaji Number:J3.356.405H
Wikidata:Q82480744
Mol file:4989-36-0.mol

Synonyms:4989-36-0;4-(aminocarbonothioyl)benzoic acid;4-carbamothioylbenzoic acid;CHEMBL3596572;4-thiocarbamoylbenzoic acid;4-carbamothioylbenzoicacid;4-(thiocarbamoyl)benzoic acid;4-(thiocarbamoyl) benzoic acid;SCHEMBL1972179;DTXSID60588213;GVEVKAIAOIRIAL-UHFFFAOYSA-N;BDBM50596340;AKOS000129066;MCULE-1300867261;CS-0244622;EN300-28564;F83192;Z235362627

Suppliers and Price of 4-Carbamothioylbenzoic 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

TRC
4-carbamothioylbenzoicacid
50mg
$ 90.00

American Custom Chemicals Corporation
4-(AMINOCARBONOTHIOYL)BENZOIC ACID 95.00%
1G
$ 852.55

American Custom Chemicals Corporation
4-(AMINOCARBONOTHIOYL)BENZOIC ACID 95.00%
5G
$ 1548.26

American Custom Chemicals Corporation
4-(AMINOCARBONOTHIOYL)BENZOIC ACID 95.00%
2.5G
$ 1227.82

AK Scientific
4-Carbamothioylbenzoicacid
2.5g
$ 892.00

AK Scientific
4-Carbamothioylbenzoicacid
500mg
$ 382.00

AHH
4-(AMINOCARBONOTHIOYL)BENZOICACID 97%
1g
$ 380.00

Total 6 raw suppliers

Chemical Property of 4-Carbamothioylbenzoic acid

Chemical Property:

PSA：95.41000
LogP:1.71930
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:181.01974964
Heavy Atom Count:12
Complexity:197

Purity/Quality:

98%Min ^*data from raw suppliers

4-carbamothioylbenzoicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C(=S)N)C(=O)O
Uses 4-Carbamothioylbenzoic Acid can be used to synthesize steroids to treat cancer.

Technology Process of 4-Carbamothioylbenzoic acid

There total 4 articles about 4-Carbamothioylbenzoic 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: 89.0%

: 619-65-8,333406-09-0
4-cyanobenzoic Acid

: 4989-36-0
4-thiocarbamoylbenzoic acid

Guidance literature:: 4-cyanobenzoic Acid; With calcium hydride; tiolacetic acid; at 80 ℃; for 1h;

With water; In ethyl acetate; at 20 ℃;
DOI:10.1055/s-0029-1217711

Reference yield: 51.0%

: 78950-30-8
4-cyanobenzothioamide

: 4989-36-0
4-thiocarbamoylbenzoic acid

Guidance literature:: With sulfuric acid; In water; at 20 ℃; Reflux;
DOI:10.1002/cjoc.201090325

Reference yield:

: 104-85-8
para-methylbenzonitrile

: 4989-36-0
4-thiocarbamoylbenzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: aqueous potassium permanganate

2: H₂S

With potassium permanganate; hydrogen sulfide;