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

Modify Date: 2025-08-27 17:24:40

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

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

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

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

HS Code	2930909090

Benzoyl chloride

CAS#:98-88-4

Benzanilide, 2'...

CAS#:135-57-9

~97%

Benzenecarbothi...

CAS#:1047-61-6

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

Benzoyl chloride

CAS#:98-88-4

2-Aminothiophenol

CAS#:137-07-5

~77%

Benzenecarbothi...

CAS#:1047-61-6

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-THIOPHENOYLCH...

CAS#:3335-22-6

N-Hydroxy-N-phe...

CAS#:304-88-1

~19%

Disulfide, dibenzoyl

CAS#:644-32-6

Benzenecarbothi...

CAS#:1047-61-6

Detail

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

CAS#:95-16-9

Benzoyl chloride

CAS#:98-88-4

Benzenecarbothi...

CAS#:1047-61-6

Literature: Nishizawa Yakugaku Zasshi, 1943 , vol. 63, p. 140,142 Chem.Abstr., 1951 , p. 609

Benzo[d]thiazole

CAS#:95-16-9

Benzoyl chloride

CAS#:98-88-4

Formic Acid

CAS#:64-18-6

2-Phenylbenzoth...

CAS#:883-93-2

Detail

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

Precursor 6
CAS#:98-88-4 Benzoyl chloride CAS#:135-57-9 Benzanilide, 2'... CAS#:137-07-5 2-Aminothiophenol CAS#:3335-22-6 2-THIOPHENOYLCH...
CAS#:304-88-1 N-Hydroxy-N-phe... CAS#:95-16-9 Benzo[d]thiazole
DownStream 2
CAS#:883-93-2 2-Phenylbenzoth... CAS#:1020-40-2 Benzamide,N-(2-...

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%

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

Total 77, Current Page 1 of 8

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)

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.