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Home > Other Heterocycles > 5718-75-2
5718-75-2 | (1R,4R,5R);-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane
CAS No: 5718-75-2 Catalog No: AG003US8 MDL No:MFCD28397067
Product Description
Catalog Number:
AG003US8
Chemical Name:
(1R,4R,5R);-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane
CAS Number:
5718-75-2
Molecular Formula:
C10H18S
Molecular Weight:
170.3149
MDL Number:
MFCD28397067
IUPAC Name:
(1R,4R,5R)-4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane
InChI:
InChI=1S/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChI Key:
FAXNZPOZWCWYBD-IWSPIJDZSA-N
SMILES:
C[C@@H]1CC[C@@H]2C[C@H]1SC2(C)C
EC Number:
227-219-6
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
170.113g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.314g/mol
Monoisotopic Mass:
170.113g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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