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

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2-Phenylbenzothiazole

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Catalog Number

ACM883932-1

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

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

Monoisotopic Mass

211.04557046

NSC Number

2034

Rotatable Bond Count

Topological Polar Surface Area

41.1 Å²

UNII

FO573G4BGT

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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