1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-

Base Information

Chemical Name:1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-
CAS No.:15909-94-1
Molecular Formula:C9H6 N4 O4 S
Molecular Weight:266.237
Hs Code.:
European Community (EC) Number:240-052-3
DSSTox Substance ID:DTXSID6065971
Nikkaji Number:J219.899A
Mol file:15909-94-1.mol

Synonyms:15909-94-1;5-(5-Mercapto-1H-tetrazol-1-yl)isophthalic acid;1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-;5-(5-sulfanylidene-2H-tetrazol-1-yl)benzene-1,3-dicarboxylic acid;EINECS 240-052-3;C9H6N4O4S;SCHEMBL4279193;DTXSID6065971;SCHEMBL11564462;C9-H6-N4-O4-S;5-(2,5-Dihydro-5-thioxo-1H-tetrazol-1-yl)-1,3-benzenedicarboxylic acid

Suppliers and Price of 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-

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
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Total 3 raw suppliers

Chemical Property of 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-

Chemical Property:

Vapor Pressure:1.81E-12mmHg at 25°C
Melting Point:218 °C (decomp)(Solv: methanol (67-56-1); water (7732-18-5))
Boiling Point:539.4°Cat760mmHg
PKA:3.23±0.10(Predicted)
Flash Point:280°C
PSA：157.00000
Density:1.85g/cm³
LogP:0.34740
XLogP3:1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:266.01097586
Heavy Atom Count:18
Complexity:405

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C=C(C=C1C(=O)O)N2C(=S)N=NN2)C(=O)O

Technology Process of 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-

There total 1 articles about 1,3-Benzenedicarboxylic acid, 5-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)- 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: