Bicyclo[2.2.1]heptan-2-ol, 1-(mercaptomethyl)-7,7-dimethyl-,(1S,2R,4R)-


Chemical Name: Bicyclo[2.2.1]heptan-2-ol, 1-(mercaptomethyl)-7,7-dimethyl-,(1S,2R,4R)-
CAS Number: 71242-58-5
Product Number: AG003BHT(AGN-PC-0TYR1R)
Synonyms:
MDL No:
Molecular Formula: C10H18OS
Molecular Weight: 186.3143

Identification/Properties


Properties
MP:
72℃
Form:
Solid
Computed Properties
Molecular Weight:
186.313g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
186.108g/mol
Monoisotopic Mass:
186.108g/mol
Topological Polar Surface Area:
21.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
202
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
3
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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