2-ethoxy-4-hydroxy-1,3-thiazole-5-carbonitrile


Chemical Name: 2-ethoxy-4-hydroxy-1,3-thiazole-5-carbonitrile
CAS Number: 59965-53-6
Product Number: AG003H60(AGN-PC-03BLGR)
Synonyms:
MDL No: MFCD21641303
Molecular Formula: C6H6N2O2S
Molecular Weight: 170.1890

Identification/Properties


Computed Properties
Molecular Weight:
170.186g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
170.015g/mol
Monoisotopic Mass:
170.015g/mol
Topological Polar Surface Area:
94.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
179
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
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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