4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo-

Base Information Edit

Chemical Name:4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo-
CAS No.:6953-78-2
Deprecated CAS:16490-15-6
Molecular Formula:C5H4 N2 O3 S
Molecular Weight:172.164
Hs Code.:2933599090
NSC Number:39961
DSSTox Substance ID:DTXSID3064516
Nikkaji Number:J236.402F
ChEMBL ID:CHEMBL1451904
Mol file:6953-78-2.mol

Synonyms:6953-78-2;Mercaptoorotic acid;6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid;4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo-;6-Carboxy-2-thiouracil;2-Thioorotic acid;2-Thiouracil-4-carboxylic acid;Orotic acid, 2-thio-;NSC39961;2-Thioorotic acid (VAN);4-oxo-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid;6-hydroxy-2-mercapto-4-pyrimidinecarboxylic acid;MFCD00010215;NSC 39961;NSC-39961;AI3-26587;6-oxo-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid;NCIStruc1_000209;NCIStruc2_000287;SCHEMBL5692483;SCHEMBL8626403;Orotic acid, 2-thio- (VAN);CHEMBL1451904;DTXSID3064516;ISOQUWRYYNKKGX-UHFFFAOYSA-N;NCI39961;CCG-36854;NCGC00013465;STK663748;AKOS000277053;AKOS001448073;NCGC00013465-02;NCGC00096580-01;LS-08639;NCI60_003724;CS-0207450;4-Oxo-2-thioxo-1H-pyrimidine-6-carboxylic acid;6-Hydroxy-2-sulfanyl-4-pyrimidinecarboxylic acid;Z314605804;6-oxo-2-sulfanyl-1,6-dihydropyrimidine-4-carboxylic acid;4-Pyrimidinecarboxylic acid,2,3,6-tetrahydro-6-oxo-2-thioxo-;4-Pyrimidinecarboxylicacid,1,2,3,6-tetrahydro-6-oxo-2-thioxo-;6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylicacid;6-Oxo-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid #;InChI=1/C5H4N2O3S/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11

Suppliers and Price of 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo-

Supply Marketing:Edit

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
6-Hydroxy-2-sulfanyl-4-pyrimidinecarboxylic acid
1g
$ 432.00

Matrix Scientific
6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
1g
$ 200.00

Matrix Scientific
6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
0.500g
$ 160.00

Matrix Scientific
6-Hydroxy-2-sulfanyl-4-pyrimidinecarboxylic acid
10g
$ 1602.00

Matrix Scientific
6-Hydroxy-2-sulfanyl-4-pyrimidinecarboxylic acid
5g
$ 1206.00

Matrix Scientific
6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
5g
$ 700.00

Crysdot
6-Oxo-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylicacid 97%
5g
$ 527.00

American Custom Chemicals Corporation
2-THIOOROTIC ACID 95.00%
5MG
$ 502.87

Total 3 raw suppliers

Chemical Property of 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo- Edit

Chemical Property:

Vapor Pressure:4.54E-12mmHg at 25°C
Melting Point:338-339 °C (decomp)
Boiling Point:530.2°C at 760 mmHg
PKA:2.45±0.20(Predicted)
Flash Point:274.4°C
PSA：118.04000
Density:1.74g/cm³
LogP:0.13070
XLogP3:-0.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:171.99426317
Heavy Atom Count:11
Complexity:271

Purity/Quality:

99% ^*data from raw suppliers

6-Hydroxy-2-sulfanyl-4-pyrimidinecarboxylic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(NC(=S)NC1=O)C(=O)O

Technology Process of 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo-

There total 6 articles about 4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-6-oxo-2-thioxo- 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: