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14092-00-3

14092-00-3 structural image
Product Name: 2-METHYLBENZYL MERCAPTAN, 97
Formula: C8H10S
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1210.1 1209 1209

COMPUTED DESCRIPTORS

Molecular Weight 138.23 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 138.05032149 g/mol
Monoisotopic Mass 138.05032149 g/mol
Topological Polar Surface Area 25.3 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 80.6
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