CAS 883-93-2 2-Phenylbenzothiazole - Materials / Alfa Chemistry

NAVIGATION

2-Phenylbenzothiazole

PRICE INQUIRY

Catalog Number

ACM883932-2

CAS Number

883-93-2

Product Name

2-Phenylbenzothiazole

Structure

Category

Ligands for Functional Metal Complexes

Synonyms

2-Phenyl-1,3-benzothiazole

IUPAC Name

2-phenyl-1,3-benzothiazole

Molecular Weight

211.28

Molecular Formula

C13H9NS

Canonical SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2

InChI

XBHOUXSGHYZCNH-UHFFFAOYSA-N

InChI Key

InChI=1S/C13H9NS/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H

Boiling Point

371 °C

Melting Point

111-113 °C -lit.

Appearance

Grey needle-like crystals

Application

2-Phenylbenzothiazole, characterized by its grey needle-like crystal form, serves primarily as a fixative in perfumery, particularly in woody-rosy Geranium type fragrances. This organic compound, recognized in the perfume industry for over fifty years, was one of the earliest sulfur compounds incorporated into fragrances. Despite its occasional presence as a contaminant in water and sediment from sedimentation ponds, its main use remains in enhancing the longevity and stability of fragrance compositions.

Storage

Store below +30°C.

Complexity

213

Covalently-Bonded Unit Count

EC Number

212-935-3

Exact Mass

211.04557046

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count