Benzenecarbothioicacid, S-[2-(benzoylamino)phenyl] ester

Modify Date: 2026-07-01 20:14:13

Benzenecarbothioicacid, S-[2-(benzoylamino)phenyl] ester Structure
Benzenecarbothioicacid, S-[2-(benzoylamino)phenyl] ester structure
 Common Name Benzenecarbothioicacid, S-[2-(benzoylamino)phenyl] ester
CAS Number 1047-61-6 Molecular Weight 333.40400
Density 1.29g/cm3 Boiling Point 410.5ºC at 760 mmHg
Molecular Formula C20H15NO2S Melting Point N/A
MSDS N/A Flash Point 202.1ºC

Summary: S-(2-benzamidophenyl) benzenecarbothioate, Chinese name: Benzenecarbothioicacid, S-[2-(benzoylamino)phenyl] ester, CAS number: 1047-61-6, molecular formula: C20H15NO2S, molecular weight: 333.40400. For research-use only, not for medical or clinical usage.

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name S-(2-benzamidophenyl) benzenecarbothioate
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.29g/cm3
Boiling Point 410.5ºC at 760 mmHg
Molecular Formula C20H15NO2S
Molecular Weight 333.40400
Flash Point 202.1ºC
Exact Mass 333.08200
PSA 71.47000
LogP 4.94440
Vapour Pressure 5.98E-07mmHg at 25°C
Index of Refraction 1.678
InChIKey SPSSXOLIURQSMF-UHFFFAOYSA-N
SMILES O=C(Nc1ccccc1SC(=O)c1ccccc1)c1ccccc1

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH6845000
CHEMICAL NAME :
Benzoic acid, thio-, o-benzamidophenyl ester
CAS REGISTRY NUMBER :
1047-61-6
BEILSTEIN REFERENCE NO. :
2221593
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H15-N-O2-S
MOLECULAR WEIGHT :
333.42
WISWESSER LINE NOTATION :
RVSR BVMR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1013,1986

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

HS Code 2930909090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

Benzoyl chloride structure

Benzoyl chloride

CAS#:98-88-4

Benzanilide, 2',2'''-dithiobis structure

Benzanilide, 2'...

CAS#:135-57-9

~97%

Benzenecarbothioicacid, S-[2-(benzoylamino)phenyl] ester Structure

Benzenecarbothi...

CAS#:1047-61-6

Learn More
Literature: Villalobos, Janette M.; Srogl, Jiri; Liebeskind, Lanny S. Journal of the American Chemical Society, 2007 , vol. 129, # 51 p. 15734 - 15735
Benzoyl chloride structure

Benzoyl chloride

CAS#:98-88-4

2-Aminothiophenol structure

2-Aminothiophenol

CAS#:137-07-5

~77%

Benzenecarbothioicacid, S-[2-(benzoylamino)phenyl] ester Structure

Benzenecarbothi...

CAS#:1047-61-6

Learn More
Literature: Drozd, V.N. Journal of Organic Chemistry USSR (English Translation), 1987 , vol. 23, p. 317 - 326 Zhurnal Organicheskoi Khimii, 1987 , vol. 23, # 2 p. 355 - 365
2-THIOPHENOYLCHLORIDE structure

2-THIOPHENOYLCH...

CAS#:3335-22-6

N-Hydroxy-N-phenylbenzamide structure

N-Hydroxy-N-phe...

CAS#:304-88-1

~19%

Disulfide, dibenzoyl structure

Disulfide, dibenzoyl

CAS#:644-32-6

Benzenecarbothioicacid, S-[2-(benzoylamino)phenyl] ester Structure

Benzenecarbothi...

CAS#:1047-61-6

Detail Learn More
Literature: Drozd, V.N. Journal of Organic Chemistry USSR (English Translation), 1987 , vol. 23, p. 317 - 326 Zhurnal Organicheskoi Khimii, 1987 , vol. 23, # 2 p. 355 - 365
Benzo[d]thiazole structure

Benzo[d]thiazole

CAS#:95-16-9

Benzoyl chloride structure

Benzoyl chloride

CAS#:98-88-4

~%

Benzenecarbothioicacid, S-[2-(benzoylamino)phenyl] ester Structure

Benzenecarbothi...

CAS#:1047-61-6

Learn More
Literature: Nishizawa Yakugaku Zasshi, 1943 , vol. 63, p. 140,142 Chem.Abstr., 1951 , p. 609
Benzo[d]thiazole structure

Benzo[d]thiazole

CAS#:95-16-9

Benzoyl chloride structure

Benzoyl chloride

CAS#:98-88-4

~%

Formic Acid structure

Formic Acid

CAS#:64-18-6

2-Phenylbenzothiazole structure

2-Phenylbenzoth...

CAS#:883-93-2

Detail Learn More
Literature: Reissert Chemische Berichte, 1905 , vol. 38, p. 3432

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Bioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
Source: NCGC
Target: apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id: AMA1100
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id: ABHD4_INH_FP_1536_1X%INH PRUN
Name: High Throughput Screen to Identify Inhibitors Targeting HIV-1 Vif-dependent Degradati...
Source: Southern Research Institute
Target: HIV-1 Vif
External Id: HIV1-VIF_MS
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

N,S-dibenzoyl-o-aminothiophenol
1-benzoylamino-2-benzoylmercapto-benzene
Benzanilide,2'-benzoylthio
1-thiobenzoyloxy-2-(N-benzoylamino)benzene
Benzenecarbothioic acid,S-(2-(benzoylamino)phenyl) ester
BENZOIC ACID,THIO-,o-BENZAMIDOPHENYL ESTER
N,S-Dibenzoyl-o-aminothiofenol
S-2-(benzoamido)phenylbenzothioate
N,S-Dibenzoyl-o-aminothiofenol [Czech]
Thiobenzoesaeure-S-(2-benzamino-phenylester)
1-Benzoylamino-2-benzoylmercapto-benzol
S.N-Dibenzoyl-(2-amino-thiophenol)

  | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the downstream products of S-(2-benzamidophenyl) benzenecarbothioate?
A: Related downstream products(CAS) of S-(2-benzamidophenyl) benzenecarbothioate: 883-93-2;1020-40-2.
Q: What is the LogP of S-(2-benzamidophenyl) benzenecarbothioate?
A: LogP of S-(2-benzamidophenyl) benzenecarbothioate is 4.94440.
Q: What is the polar surface area (PSA) of S-(2-benzamidophenyl) benzenecarbothioate?
A: Polar surface area (PSA) of S-(2-benzamidophenyl) benzenecarbothioate is 71.47000.
Q: What is the English name of S-(2-benzamidophenyl) benzenecarbothioate?
A: The English name of S-(2-benzamidophenyl) benzenecarbothioate is S-(2-benzamidophenyl) benzenecarbothioate.
Q: What is the molecular weight of S-(2-benzamidophenyl) benzenecarbothioate?
A: Molecular weight of S-(2-benzamidophenyl) benzenecarbothioate is 333.40400.
Q: What is the boiling point of S-(2-benzamidophenyl) benzenecarbothioate?
A: Boiling point of S-(2-benzamidophenyl) benzenecarbothioate is 410.5ºC at 760 mmHg.
Q: What is the InChIKey of S-(2-benzamidophenyl) benzenecarbothioate?
A: InChIKey of S-(2-benzamidophenyl) benzenecarbothioate is SPSSXOLIURQSMF-UHFFFAOYSA-N.
Q: What is the molecular formula of S-(2-benzamidophenyl) benzenecarbothioate?
A: Molecular formula of S-(2-benzamidophenyl) benzenecarbothioate is C20H15NO2S.
Q: What is the Chinese name of 1047-61-6?
A: Chinese name of 1047-61-6 is 1047-61-6.
Q: What is the CAS number of S-(2-benzamidophenyl) benzenecarbothioate?
A: CAS number of S-(2-benzamidophenyl) benzenecarbothioate is 1047-61-6.

 factory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

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Chemsrc provides CAS#:1047-61-6 MSDS, density, melting point, boiling point, structure, etc. Its name is Benzenecarbothioicacid, S-[2-(benzoylamino)phenyl] ester>> amp version: Benzenecarbothioicacid, S-[2-(benzoylamino)phenyl] ester

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