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261858

Sigma-Aldrich

2-Cyano-6-methoxybenzothiazole

99%

Synonym(s):

6-Methoxy-2-benzothiazolecarbonitrile

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About This Item

Empirical Formula (Hill Notation):
C9H6N2OS
CAS Number:
943-03-3
Molecular Weight:
190.22
MDL number:
MFCD00010537
UNSPSC Code:
12352100
PubChem Substance ID:
24855838
NACRES:
NA.22

Quality Level

200

Assay

99%

form

solid

mp

129-131 °C (lit.)

solubility

chloroform: soluble 5%, clear, colorless to faintly yellow

functional group

nitrile

SMILES string

COc1ccc2nc(sc2c1)C#N

InChI

1S/C9H6N2OS/c1-12-6-2-3-7-8(4-6)13-9(5-10)11-7/h2-4H,1H3

InChI key

DEWDWBYQOFXKIH-UHFFFAOYSA-N

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Application

2-Cyano-6-methoxybenzothiazole has been used in the synthesis of:
  • firefly luciferin via condensation with cysteine
  • luciferin β-glycosides, substrates for novel ultrasensitive enzyme assays
Luciferin intermediate.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

JAN Code

261858-VAR:
261858-1G:4548173126388
261858-250MG:4548173126395
261858-BULK:

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Certificates of Analysis (COA)

Lot/Batch Number
1442924V
1442924
1438220
17412LI
15327MI

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Synthesis of luciferin glycosides as substrates for novel ultrasensitive enzyme assays.
Amess R, et al.
Carbohydrate Research, 205, 225-233 (1990)
Analogs of firefly luciferin.
White EH, et al.
The Journal of Organic Chemistry, 30(7), 2344-2348 (1965)

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