Cyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl-


Chemical Name: Cyclohexanone, 2-(1-mercapto-1-methylethyl)-5-methyl-
CAS Number: 38462-22-5
Product Number: AG003TTG(AGN-PC-0JL4S4)
Synonyms:
MDL No:
Molecular Formula: C10H18OS
Molecular Weight: 186.3143

Identification/Properties


Properties
BP:
273.1°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.495(lit.)
Computed Properties
Molecular Weight:
186.313g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
186.108g/mol
Monoisotopic Mass:
186.108g/mol
Topological Polar Surface Area:
18.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
186
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
2
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#:
2810
Hazard Statements:
H301-H319-H400
Precautionary Statements:
P273-P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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