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2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester

2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester structure

CAS No:
448906-42-1
Formula:
C14H10N2O3S
Chemical Name:
2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester
Synonyms:
4-Thiazolecarboxylic acid,2-(1H-indol-3-ylcarbonyl)-,methyl ester;2-(1′H-Indole-3′-carbonyl)thiazole-4-carboxylic acid methyl ester;2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester;ARI-001;ITE
Categories:
Organic Chemistry > Nitrile Compound

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Description

2-[1H-indol-3-yl(oxo)methyl]-4-thiazolecarboxylic acid methyl ester is an indolyl carboxylic acid.

2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester Basic Attributes

Molecular Weight：

286.31

Exact Mass：

286.31

DSSTox ID：

DTXSID70405386

HScode：

2934100090

Characteristics

PSA：

100.29000

XLogP3：

2.64200

Density：

1.427±0.06 g/cm3

Boiling Point：

520.4±48.0 °C(Predicted)

Flash Point：

268.5ºC

Refractive Index：

1.688

Storage Conditions：

2-8ºC

PKA：

14.38±0.30

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:286.31
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:286.04121336
Monoisotopic Mass:286.04121336
Topological Polar Surface Area:100
Heavy Atom Count:20
Complexity:404
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate

CAS No.: 448906-42-1

Content: 99.00%

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448906-42-1 methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate

CAS No.: 448906-42-1

Grade: Industrial Grade

Content: 95%

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Guide of 2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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