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Ethyl 2-aminothiazole-5-carboxylate(CAS No. 32955-21-8)

Ethyl 2-aminothiazole-5-carboxylate C6H8N2O2S (cas 32955-21-8) Molecular Structure

32955-21-8 Structure

Identification and Related Records

【Name】
Ethyl 2-aminothiazole-5-carboxylate
【Iupac name】
ethyl 2-amino-1,3-thiazole-5-carboxylate
【CAS Registry number】
32955-21-8
【Synonyms】
2-Amino-5-(ethoxycarbonyl)thiazole
2-Aminothiazole-5-carboxylic acid ethyl ester
Ethyl 2-amino-1,3-thiazole-5-carboxylate
Ethyl 2-amino-5-thiazolecarboxylate
NSC 233051
Ethyl-2-aminothiazole-5-carboxylate
【Molecular Formula】
C6H8N2O2S (Products with the same molecular formula)
【Molecular Weight】
172.2
【Inchi】
InChI=1/C6H8N2O2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3,(H2,7,8)
【Canonical SMILES】
CCOC(=O)C1=CN=C(S1)N
【MOL File】
32955-21-8.mol

Chemical and Physical Properties

【Density】
1.336 g/cm3
【Melting Point】
144-148
【Boiling Point】
308 °C at 760 mmHg
【Refractive Index】
1.588
【Flash Point】
140.1 °C
【Computed Properties】
Molecular Weight:172.20492 [g/mol]
Molecular Formula:C6H8N2O2S
XLogP3-AA:1.2
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:3
Tautomer Count:4
Exact Mass:172.030648
MonoIsotopic Mass:172.030648
Topological Polar Surface Area:93.4
Heavy Atom Count:11
Formal Charge:0
Complexity:154
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:1
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:16

Safety and Handling

【Hazard Codes】
Xi
【Risk Statements】
R36/37/38
【Safety Statements 】
26-36/37/39
【HazardClass】
IRRITANT
【Hazard Note】

Irritant

【Safety】

Hazard Codes of Ethyl 2-aminothiazole-5-carboxylate (CAS NO.32955-21-8):?IrritantXi
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.

【Specification】

?Ethyl 2-aminothiazole-5-carboxylate , its cas register number is 32955-21-8. It also can be called Ethyl 2-amino-1,3-thiazole-5-carboxylate ; and 2-Amino-5-(ethoxycarbonyl)thiazole .

Supplier Location

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