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5-AMINO-4-CYANO-3-METHYL-THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER

5-AMINO-4-CYANO-3-METHYL-THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER structure

CAS No:
23903-46-0
Formula:
C9H10N2O2S
Chemical Name:
5-AMINO-4-CYANO-3-METHYL-THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER
Synonyms:
ethyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate;Ethyl 5-amino-4-cyano-3-methyl-2-thiophenecarboxylate;5-Amino-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester;ethyl 2-amino-3-cyano-4-methylthiophene-5-carboxylate;SCHEMBL626630;ARONIS018157;CTK4F2522;KS-00004AEK;RSCBB000917;ZINC75910

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Description

Grey solid

5-AMINO-4-CYANO-3-METHYL-THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER Basic Attributes

Molecular Weight：

210.26

Exact Mass：

210.04600

DSSTox ID：

DTXSID80346276

HScode：

29349990

Characteristics

PSA：

104

XLogP3：

2.26828

Density：

1.29g/cm3

Melting Point：

151 °C

Boiling Point：

386.6ºC at 760mmHg

Flash Point：

187.6ºC

Refractive Index：

1.574

Vapor Pressure：

3.49E-06mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:210.26
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:210.04629874
Monoisotopic Mass:210.04629874
Topological Polar Surface Area:104
Heavy Atom Count:14
Complexity:273
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-AMINO-4-CYANO-3-METHYL-THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
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5-AMINO-4-CYANO-3-METHYL-THIOPHENE-2-CARBOXYLIC ACID ETHYL ESTER

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