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101338

Sigma-Aldrich

Benzothiazole

96%

Synonym(s):

1,3-Benzothiazole, Benzosulfonazole

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About This Item

Empirical Formula (Hill Notation):
C7H5NS
CAS Number:
95-16-9
Molecular Weight:
135.19
Beilstein:
109468
EC Number:
202-396-2
MDL number:
MFCD00005775
UNSPSC Code:
12352100
PubChem Substance ID:
24846538
NACRES:
NA.22

vapor density

4.66 (vs air)

vapor pressure

34 mmHg ( 131 °C)

Assay

96%

refractive index

n20/D 1.642 (lit.)

bp

231 °C (lit.)

mp

2 °C (lit.)

density

1.238 g/mL at 25 °C (lit.)

SMILES string

c1ccc2scnc2c1

InChI

1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H

InChI key

IOJUPLGTWVMSFF-UHFFFAOYSA-N

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Application

Interesting carbonyl equivalent. Reacts with aldehydes or ketones to generate α-hydroxy carbonyl compounds.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H301 + H311,H319,H332

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Acute Tox. 4 Inhalation - Eye Irrit. 2

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 2

Flash Point(F)

224.6 °F - Pensky-Martens closed cup

Flash Point(C)

107 °C - Pensky-Martens closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Bulletin of the Chemical Society of Japan, 61, 3637-3637 (1988)
Dennis S B Ongarora et al.
Bioorganic & medicinal chemistry letters, 22(15), 5046-5050 (2012-07-04)
The synthesis and evaluation of antiplasmodial activity of benzothiazole, benzimidazole, benzoxazole and pyridine analogues of amodiaquine is hereby reported. Benzothiazole and benzoxazole analogues with a protonatable tertiary nitrogen atom possessed excellent activity against the W2 and K1 chloroquine resistant strains
Kazumasa Wakamatsu et al.
Pigment cell & melanoma research, 25(4), 434-445 (2012-05-04)
Eumelanin is photoprotective while pheomelanin is phototoxic to pigmented tissues. Ultraviolet A (UVA)-induced tanning seems to result from the photooxidation of pre-existing melanin and contributes no photoprotection. However, data available for melanin biodegradation remain limited. In this study, we first
Britt-Marie Swahn et al.
Bioorganic & medicinal chemistry letters, 22(13), 4332-4337 (2012-06-01)
The synthesis and SAR of new β-amyloid binding agents are reported. Evaluation of important properties for achieving good signal-to-background ratio is described. Compounds 27, 33, and 36 displayed desirable lipophilic and pharmacokinetic properties. Compound 27 was further evaluated with autoradiographic
Thanh Binh Nguyen et al.
Angewandte Chemie (International ed. in English), 53(50), 13808-13812 (2014-10-10)
The disproportionation of elemental sulfur at moderate temperatures is investigated in the redox condensation involving o-halonitrobenzenes 1 and benzylamines 2. As a redox moderator, elemental sulfur plays the dual role of both electron donor and acceptor, generating its lowest and
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