1H-Imidazole, 2-(methylthio)-


Chemical Name: 1H-Imidazole, 2-(methylthio)-
CAS Number: 7666-04-8
Product Number: AG003F3N(AGN-PC-0JMNW3)
Synonyms:
MDL No:
Molecular Formula: C4H6N2S
Molecular Weight: 114.1688

Identification/Properties


Properties
BP:
268.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
114.166g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
114.025g/mol
Monoisotopic Mass:
114.025g/mol
Topological Polar Surface Area:
54A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
57.7
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:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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