6-Thiabicyclo[3.2.1]octane, 4,7,7-trimethyl-, (1R,4R,5R)-rel-(-)-


Chemical Name: 6-Thiabicyclo[3.2.1]octane, 4,7,7-trimethyl-, (1R,4R,5R)-rel-(-)-
CAS Number: 5718-75-2
Product Number: AG003US8(AGN-PC-0SN3W3)
Synonyms:
MDL No:
Molecular Formula: C10H18S
Molecular Weight: 170.3149

Identification/Properties


Properties
BP:
222.7°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Computed Properties
Molecular Weight:
170.314g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
170.113g/mol
Monoisotopic Mass:
170.113g/mol
Topological Polar Surface Area:
25.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
162
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:
Signal Word:
Danger
UN#:
3082
Hazard Statements:
H411
Precautionary Statements:
P273
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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