2-Thiazolecarboxaldehyde, 4-methyl-


Chemical Name: 2-Thiazolecarboxaldehyde, 4-methyl-
CAS Number: 13750-68-0
Product Number: AG0013DS(AGN-PC-0L869D)
Synonyms:
MDL No:
Molecular Formula: C5H5NOS
Molecular Weight: 127.1643

Identification/Properties


Properties
BP:
236°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.5600(lit.)
Computed Properties
Molecular Weight:
127.161g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
127.009g/mol
Monoisotopic Mass:
127.009g/mol
Topological Polar Surface Area:
58.2A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
96.4
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:
Danger
UN#:
1993
Hazard Statements:
H227-H302-H317-H319
Precautionary Statements:
P210-P280-P305+P351+P338
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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