Tibenzate

Base Information

Chemical Name:Tibenzate
CAS No.:13402-51-2
Molecular Formula:C14H12 O S
Molecular Weight:228.315
Hs Code.:2930909090
NSC Number:79263
UNII:0I93JSA6L6
DSSTox Substance ID:DTXSID90158463
Nikkaji Number:J8.106J
Wikidata:Q27236811
NCI Thesaurus Code:C74160
ChEMBL ID:CHEMBL2107077
Mol file:13402-51-2.mol

Synonyms:Tibenzate;S-Benzyl benzenecarbothioate;13402-51-2;Benzyl thiobenzoate;Tibenzate [INN];S-Benzyl thiobenzoate;S-Benzyl benzothioate;Tibenzatum;Tibenzato;Thiobenzoic acid, S-benzyl ester;Tibenzatum [INN-Latin];Tibenzato [INN-Spanish];Benzenecarbothioic acid, S-(phenylmethyl) ester;NSC 79263;NSC-79263;alpha-Toluenethiol, benzoate;BRN 2049281;UNII-0I93JSA6L6;AI3-16937;0I93JSA6L6;BENZOIC ACID, THIO-, S-BENZYL ESTER;Thiobenzoic acid S-benzyl;WLN: RVS1R;benzyl 1-benzenecarbothioate;Benzoic acid, S-benzyl ester;SCHEMBL2110094;Thiobenzoic acid S-benzyl ester;CHEMBL2107077;DTXSID90158463;s-(Phenylmethyl)benzenecarbothioate;NSC79263;alpha-Toluenethiol, benzoate (6CI);STK822760;AKOS002346585;LS-38325;SR-01000884008;SR-01000884008-1;Q27236811

Suppliers and Price of Tibenzate

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

American Custom Chemicals Corporation
TIBENZATE 95.00%
5MG
$ 503.39

Total 7 raw suppliers

Chemical Property of Tibenzate

Chemical Property:

Vapor Pressure:8.26E-05mmHg at 25°C
Melting Point:39.5°C
Refractive Index:1.5700 (estimate)
Boiling Point:341°Cat760mmHg
Flash Point:146.5°C
PSA：42.37000
Density:1.167g/cm³
LogP:3.76020
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:228.06088618
Heavy Atom Count:16
Complexity:215

Purity/Quality:

99.3% ^*data from raw suppliers

TIBENZATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CSC(=O)C2=CC=CC=C2

Technology Process of Tibenzate

There total 66 articles about Tibenzate 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: 99.0%

: 98-88-4
benzoyl chloride

: 100-53-8
phenylmethanethiol

: 13402-51-2
benzyl benzothioate

Guidance literature:: With 1,1,1,3',3',3'-hexafluoro-propanol; In neat (no solvent); at 20 ℃; for 0.0166667h; Green chemistry;
DOI:10.1016/j.tetlet.2017.04.004

Reference yield: 98.0%

: 93-97-0
benzoic acid anhydride

: 100-53-8
phenylmethanethiol

: 13402-51-2
benzyl benzothioate

Guidance literature:: benzoic acid anhydride; With molybdenium(VI) dioxodichloride; In dichloromethane; at 20 ℃; for 0.5h;

phenylmethanethiol; In dichloromethane; at 20 ℃; for 8h;
DOI:10.1021/jo048363v