2-Phenylbenzothiazole

Modify Date: 2025-08-26 09:35:09

2-Phenylbenzothiazole Structure
2-Phenylbenzothiazole structure
Common Name 2-Phenylbenzothiazole
CAS Number 883-93-2 Molecular Weight 211.282
Density 1.2±0.1 g/cm3 Boiling Point 356.9±25.0 °C at 760 mmHg
Molecular Formula C13H9NS Melting Point 111-113 °C(lit.)
MSDS USA Flash Point 174.4±12.1 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 2-Phenylbenzothiazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 356.9±25.0 °C at 760 mmHg
Melting Point 111-113 °C(lit.)
Molecular Formula C13H9NS
Molecular Weight 211.282
Flash Point 174.4±12.1 °C
Exact Mass 211.045563
PSA 41.13000
LogP 4.26
Vapour Pressure 0.0±0.8 mmHg at 25°C
Index of Refraction 1.685
InChIKey XBHOUXSGHYZCNH-UHFFFAOYSA-N
SMILES c1ccc(-c2nc3ccccc3s2)cc1
Water Solubility INSOLUBLE

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL5990000
CHEMICAL NAME :
Benzothiazole, 2-phenyl-
CAS REGISTRY NUMBER :
883-93-2
BEILSTEIN REFERENCE NO. :
0141340
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H9-N-S
MOLECULAR WEIGHT :
211.29
WISWESSER LINE NOTATION :
T56 BN DSJ CR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 16,930,1973

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H319
Precautionary Statements P305 + P351 + P338
Hazard Codes Xi
Risk Phrases 36
Safety Phrases S24/25
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS DL5990000
HS Code 29342080

 Synthetic Route

 Customs

HS Code 29342080

 Articles10

More Articles
Novel amidino substituted 2-phenylbenzothiazoles: synthesis, antitumor evaluation in vitro and acute toxicity testing in vivo.

Bioorg. Med. Chem. 18(3) , 1038-44, (2010)

The efficient synthesis of new bis-substituted nitro-amidino, amino-amidino (10a, 10b-13a, 13b) and previously prepared diamidino 2-phenyl-benzothiazoles (9a, 9b) is described. The compounds 11a and 1...

Design, synthesis and structure-activity relationship of rhenium 2-arylbenzothiazoles as β-amyloid plaque binding agents.

Bioorg. Med. Chem. Lett. 23(6) , 1720-6, (2013)

To continue our efforts toward the development of (99m)Tc PiB analogs, we have synthesized 24 neutral and lipophilic Re (as a surrogate of (99m)Tc) 2-arylbenzothiazoles, and explored their structure-a...

Iridium(III) complexes with enhanced film amorphism as guests for efficient orange solution-processed single-layer PhOLEDs with low efficiency roll-off.

Dalton Trans. 42(29) , 10559-71, (2013)

By introducing a phenyl substituent into the meta-site of the phenyl segment of the 2-phenylbenzothiazole ligand, two novel orange iridium(III) complexes, namely, (3Phbt)2Ir(acac) and (3OMePhbt)2Ir(ac...

 2-PhenylbenzothiazoleBioassay

View more

Name: Antibacterial activity against Salmonella assessed as growth inhibition incubated for...
Source: ChEMBL
Target: Salmonella
External Id: CHEMBL3745117
Name: Antibacterial activity against Bacillus subtilis assessed as growth inhibition incuba...
Source: ChEMBL
Target: Bacillus subtilis
External Id: CHEMBL3745116
Name: Antibacterial activity against Escherichia coli assessed as growth inhibition incubat...
Source: ChEMBL
Target: Escherichia coli
External Id: CHEMBL3745115
Name: Antibacterial activity against Staphylococcus aureus assessed as growth inhibition in...
Source: ChEMBL
Target: Staphylococcus aureus
External Id: CHEMBL3745114
Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
Name: Stability of the compound in GSH at 10'-5 M after 48 hrs by UV-vis spectroscopic anal...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3745118
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: qHTS assay for inhibitors of human lactate dehydrogenase
Source: NCGC
Target: N/A
External Id: LDHA
Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
Name: Antiproliferative activity against human HeLa cells assessed as growth inhibition at ...
Source: ChEMBL
Target: HeLa
External Id: CHEMBL4773333
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 Synonyms

2-Phenylbenzothiazole
MFCD00005777
EINECS 212-935-3
2-Phenyl-1,3-benzothiazole
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