S-(4-nitrophenyl) benzenecarbothioate

Base Information

Chemical Name:S-(4-nitrophenyl) benzenecarbothioate
CAS No.:1219-32-5
Molecular Formula:C13H9 N O3 S
Molecular Weight:259.285
Hs Code.:
NSC Number:171712
DSSTox Substance ID:DTXSID50305815
Nikkaji Number:J479.948H
Wikidata:Q82052559
Mol file:1219-32-5.mol

Synonyms:1219-32-5;S-(4-nitrophenyl) benzenecarbothioate;NSC171712;S-(4-nitrophenyl) benzothioate;DTXSID50305815;NSC-171712;Thiobenzoic acid S-(4-nitro-phenyl) ester

Suppliers and Price of S-(4-nitrophenyl) benzenecarbothioate

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

Total 7 raw suppliers

Chemical Property of S-(4-nitrophenyl) benzenecarbothioate

Chemical Property:

Vapor Pressure:1.07E-06mmHg at 25°C
Boiling Point:402.8°Cat760mmHg
Flash Point:197.4°C
Density:1.36g/cm³
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:259.03031432
Heavy Atom Count:18
Complexity:302

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of S-(4-nitrophenyl) benzenecarbothioate

There total 7 articles about S-(4-nitrophenyl) benzenecarbothioate 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: 87.0%

: 1849-36-1
para-nitrobenzenethiol

: 65-85-0,8013-63-6
benzoic acid

: 1219-32-5
S-4-nitrophenyl thiobenzoate

Guidance literature:: benzoic acid; With ethyl 2-(tert-butoxycarbonyloxyimino)-2-cyanoacetate; N-ethyl-N,N-diisopropylamine; In ethyl acetate; at 0 - 5 ℃; for 1h;

para-nitrobenzenethiol; In ethyl acetate; at 0 - 5 ℃; for 2h;
DOI:10.1002/adsc.201200645

Reference yield: 49.0%

: 98-88-4
benzoyl chloride

: 1849-36-1
para-nitrobenzenethiol

: 1219-32-5
S-4-nitrophenyl thiobenzoate

Guidance literature:: With cesium fluoride; In acetonitrile; at 82 ℃;
DOI:10.1016/S0040-4039(02)02028-2 DOI:10.1007/s00706-005-0351-6

Reference yield:

: 77750-05-1
4-methoxy-thiobenzoic acid S-(4-nitro-phenyl ester)

: 1219-32-5
S-4-nitrophenyl thiobenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: water; dimethyl sulfoxide / 25 °C

2: triethylamine / diethyl ether

With triethylamine; In diethyl ether; water; dimethyl sulfoxide;
DOI:10.5012/bkcs.2011.32.4.1153