5-Thiazolecarboxyli...

5-Thiazolecarboxylicacid, 2-amino-4,5-dihydro-4-oxo-, ethyl ester 5425-41-2

5-Thiazolecarboxylicacid, 2-amino-4,5-dihydro-4-oxo-, ethyl ester 5425-41-2

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  • Purity: 99%
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5-Thiazolecarboxylicacid, 2-amino-4,5-dihydro-4-oxo-, ethyl ester 5425-41-2 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
  • Storage:Room Temperature
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Details:

【Name】
5-Thiazolecarboxylicacid, 2-amino-4,5-dihydro-4-oxo-, ethyl ester
【CAS Registry number】
5425-41-2
【Synonyms】
5-Thiazolidinecarboxylicacid, 2-imino-4-oxo-, ethyl ester (8CI)
NSC 12758
【Molecular Formula】
C6H8 N2 O3 S (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C6H8N2O3S/c1-2-11-5(10)3-4(9)8-6(7)12-3/h3H,2H2,1H3,(H2,7,8,9)
【Canonical SMILES】
CCOC(=O)C1C(=O)N=C(S1)N
【MOL File】
5425-41-2.mol
Chemical and Physical Properties
【Density】
1.61g/cm3
【Boiling Point】
317.9°Cat760mmHg
【Refractive Index】
1.664
【Flash Point】
146°C
【Computed Properties】
Molecular Weight:188.20432 [g/mol]
Molecular Formula:C6H8N2O3S
XLogP3-AA:0.2
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:3
Tautomer Count:8
Exact Mass:188.025563
MonoIsotopic Mass:188.025563
Topological Polar Surface Area:107
Heavy Atom Count:12
Formal Charge:0
Complexity:251
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Feature 3D Anion Count:1
Feature 3D Ring Count:1
Effective Rotor Count:3.4
Conformer Sampling RMSD:0.6
CID Conformer Count:26

 

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