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67952-59-4

67952-59-4 structural image
Product Name: 2-METHYLTHIO-3-ISOPROPYLPYRAZINE
Formula: C8H12N2S
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1273 1273 1273 1273

COMPUTED DESCRIPTORS

Molecular Weight 168.26 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 168.07211956 g/mol
Monoisotopic Mass 168.07211956 g/mol
Topological Polar Surface Area 51.1 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 117
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