Bicyclo[2.2.1]heptane-2-thione, 1,7,7-trimethyl-, (1R,4R)-


Chemical Name: Bicyclo[2.2.1]heptane-2-thione, 1,7,7-trimethyl-, (1R,4R)-
CAS Number: 53402-10-1
Product Number: AG003BFQ(AGN-PC-0OBVWM)
Synonyms:
MDL No:
Molecular Formula: C10H16S
Molecular Weight: 168.29904

Identification/Properties


Properties
MP:
136-138 °C(lit.)
BP:
228-230 °C(lit.)
Storage:
2-8℃;
Form:
Solid
Refractive Index:
1.6500 (estimate)
Computed Properties
Molecular Weight:
168.298g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
168.097g/mol
Monoisotopic Mass:
168.097g/mol
Topological Polar Surface Area:
32.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
217
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
2
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:
Warning
UN#:
-
Hazard Statements:
H302+H312+H332-H315-H319
Precautionary Statements:
P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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