Thiobenzoic acid

Base Information Edit

Chemical Name:Thiobenzoic acid
CAS No.:98-91-9
Molecular Formula:C7H6OS
Molecular Weight:138.19
Hs Code.:29309070
European Community (EC) Number:202-712-9
NSC Number:66502
UNII:GBG5RLO56N
DSSTox Substance ID:DTXSID3059181
Nikkaji Number:J60.351A
Wikipedia:Thiobenzoic_acid
Wikidata:Q27279013
ChEMBL ID:CHEMBL1955873
Mol file:98-91-9.mol

Synonyms:Thiobenzoic acid;98-91-9;Benzenecarbothioic acid;Benzenecarbothioic S-acid;Benzoyl thiol;Monothiobenzoic acid;BENZOIC ACID, THIO-;benzothioic S-acid;Acido mercaptobenzoico;CCRIS 8913;Acido mercaptobenzoico [Italian];EINECS 202-712-9;UNII-GBG5RLO56N;NSC 66502;GBG5RLO56N;C7H6OS;CHEMBL1955873;NSC-66502;Thiobenzoic Acid (94per cent)(Benzenecarbothioic Acid);Thiobenzoicacid;thiobenzoate;Thiobenzoesaure;thiobenzoesyre-;benzothioicS-acid;thio-benzoic acid;thiobenzoic s-acid;BzSH;monothiolbenzoic acid;MFCD00004852;benzenecarbothioc acid;Benzenecarbothioic-acid-;Benzenecarbothioic S-acid #;SCHEMBL37017;DTXSID3059181;NSC66502;BDBM50366037;AKOS009031462;AKOS015839030;Thiobenzoic acid, technical grade, 90%;BS-42201;LS-38321;Thiobenzoic acid, technical, >=90% (T);CS-0197538;FT-0651866;T0195;EN300-19717;D78412;Q-201822;Q27279013

Suppliers and Price of Thiobenzoic acid

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

TRC
ThiobenzoicAcid(94%)(BenzenecarbothioicAcid)
500g
$ 235.00

TCI Chemical
Thiobenzoic Acid >93.0%(T)
25g
$ 19.00

TCI Chemical
Thiobenzoic Acid >93.0%(T)
500g
$ 72.00

Sigma-Aldrich
Thiobenzoic acid technical grade, 90%
100g
$ 38.60

Sigma-Aldrich
Thiobenzoic acid technical grade, 90%
500g
$ 99.00

Medical Isotopes, Inc.
ThiobenzoicAcid(94%)(BenzenecarbothioicAcid)
500 g
$ 975.00

Medical Isotopes, Inc.
ThiobenzoicAcid(94%)(BenzenecarbothioicAcid)
250 g
$ 750.00

American Custom Chemicals Corporation
THIOBENZOIC ACID 95.00%
500G
$ 4348.07

American Custom Chemicals Corporation
THIOBENZOIC ACID 95.00%
100G
$ 2463.83

Ambeed
BenzothioicS-acid 85%(T)
500g
$ 102.00

Total 57 raw suppliers

Chemical Property of Thiobenzoic acid Edit

Chemical Property:

Appearance/Colour:clear yellow to brown liquid
Vapor Pressure:0.104mmHg at 25°C
Melting Point:15-18 °C(lit.)
Refractive Index:n20/D 1.605(lit.)
Boiling Point:222.05 °C at 760 mmHg
PKA:3.61±0.10(Predicted)
Flash Point:88.093 °C
PSA：55.87000
Density:1.166 g/cm³
LogP:1.75660
Storage Temp.:2-8°C
Sensitive.:Air Sensitive
Water Solubility.:insoluble
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:138.01393598
Heavy Atom Count:9
Complexity:106

Purity/Quality:

99.9% ^*data from raw suppliers

ThiobenzoicAcid(94%)(BenzenecarbothioicAcid) ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-28-36-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)S

Technology Process of Thiobenzoic acid

There total 55 articles about Thiobenzoic 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: 94.0%

: 644-32-6
dibenzoyl disulfide

: 98-91-9
thiobenzoic acid

Guidance literature:: With sodium hydrogen telluride; In ethanol; 1.) 0 deg C, 2.) 40 deg C, 30 min;

Reference yield: 92.0%

: 98-88-4
benzoyl chloride

: 98-91-9
thiobenzoic acid

Guidance literature:: With LiSMgBr; In tetrahydrofuran; diethyl ether; cyclohexane; at 20 ℃; for 2h;
DOI:10.1021/ja068523f

Reference yield: 92.0%

: 4231-62-3
1-benzoyl-1H-benzotriazole

: 98-91-9
thiobenzoic acid

Guidance literature:: With sodium hydrogen sulfide; In water; at 20 ℃; for 3h; Solvent; Temperature; Green chemistry;
DOI:10.1016/j.tetlet.2019.06.061