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Ethyl 4-amino-3-(aminocarbonyl)isothiazole-5-carboxylate

Ethyl 4-amino-3-(aminocarbonyl)isothiazole-5-carboxylate structure

CAS No:
54968-74-0
Formula:
C7H9N3O3S
Chemical Name:
Ethyl 4-amino-3-(aminocarbonyl)isothiazole-5-carboxylate
Synonyms:
Ethyl 4-amino-3-(aminocarbonyl)isothiazole-5-carboxylate;Ethyl 4-amino-3-(carbamoyl)isothiazole-5-carboxylate;Ethyl 4-amino-3-(aminocarbonyl)isothiazole-5-carboxylate, 4-Amino-3-carbamoyl-5-(ethoxycarbonyl)isothiazole, 4-Amino-3-carbamoyl-5-(ethoxycarbonyl)-1,2-thiazole;4-amino-3-carbamoyl-5-isothiazolecarboxylic acid ethyl ester;4-amino-3-carbamoyl-isothiazole-5-carboxylic acid ethyl ester;ethyl 4-amino-3-aminocarbonyl-1,2-thiazole-5-carboxylate;ethyl 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate;Isothiazole-5-carboxylic acid, 4-amino-3-carbamoyl-, ethyl ester

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Ethyl 4-amino-3-(aminocarbonyl)isothiazole-5-carboxylate Basic Attributes

Molecular Weight：

215.22966

Exact Mass：

215.036

DSSTox ID：

DTXSID70357699

Characteristics

PSA：

137

XLogP3：

0.6

Density：

1.459±0.06 g/cm3(Predicted)

Melting Point：

203-204 °C(Solv: ethanol (64-17-5))

Safety Information

Hazard category：

IRRITANT

Hazard note：

Irritant

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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:215.23
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:215.03646233
Monoisotopic Mass:215.03646233
Topological Polar Surface Area:137
Heavy Atom Count:14
Complexity:248
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Ethyl 4-amino-3-(aminocarbonyl)isothiazole-5-carboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

Ethyl 4-amino-3-(aminocarbonyl)isothiazole-5-carboxylate

SDS

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