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19989-67-4

Basic Information
CAS No.: 19989-67-4
Name: 6-Benzothiazolecarboxaldehyde
Molecular Structure:
Molecular Structure of 19989-67-4 (6-Benzothiazolecarboxaldehyde)
Formula: C8H5NOS
Molecular Weight: 163.20
Synonyms: 1,3-benzothiazole-6-carbaldehyde;
EINECS:
Density: 1.384 g/cm3
Melting Point:
Boiling Point: 311.4 °C at 760 mmHg
Flash Point: 142.1 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 58.20000
LogP: 2.10880
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  • 6-Benzothiazolecarboxaldehyde

  • Casno:

    19989-67-4

    6-Benzothiazolecarboxaldehyde

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    High quality Application:Pharmaceutial

    Chamflyer Chemicals Co.Ltd is a fine organics manufacturing facility which located in Shanghai. We produce a wide range of boronic acids, pyridines, quinolines, indoles, oxazoles,

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  • 6-Benzothiazolecarboxaldehyd

  • Casno:

    19989-67-4

    6-Benzothiazolecarboxaldehyd

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0/

    1.We are specializing in providing customers with complete chemical raw materials.2.Superior quality, moderate price & quick delivery.3. Extensive international cooperation experience.4. Outstanding communication skills. Application:contact us for de

    Langchem is a research and development company specializing in custom synthesis of organic compounds and projects. Our credo is to provide products and services of the highest qual

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Specification

The 6-Benzothiazolecarboxaldehyde, with the cas registry number 19989-67-4, has the systematic name of 1,3-benzothiazole-6-carbaldehyde. Its product belongs to the category of Benzothiazole. And the molecular formula of the chemical is C8H5NOS.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 1.43; (5)ACD/BCF (pH 5.5): 7.21; (6)ACD/BCF (pH 7.4): 7.21; (7)ACD/KOC (pH 5.5): 143.15; (8)ACD/KOC (pH 7.4): 143.16; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 58.2 Å2; (13)Index of Refraction: 1.735; (14)Molar Refractivity: 47.32 cm3; (15)Molar Volume: 117.9 cm3; (16)Polarizability: 18.76×10-24cm3; (17)Surface Tension: 63.9 dyne/cm; (18)Density: 1.384 g/cm3; (19)Flash Point: 142.1 °C; (20)Enthalpy of Vaporization: 55.23 kJ/mol; (21)Boiling Point: 311.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000566 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1ccc2ncsc2c1
(2)InChI: InChI=1/C8H5NOS/c10-4-6-1-2-7-8(3-6)11-5-9-7/h1-5H
(3)InChIKey: AVSFPLJXSHRMHM-UHFFFAOYAY