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Home > Other Heterocycles > 86759-89-9
86759-89-9 | 2-Thiabicyclo[2.2.2]octane, 1,3,4-trimethyl-
CAS No: 86759-89-9 Catalog No: AG004NB0 MDL No:
Product Description
Catalog Number:
AG004NB0
Chemical Name:
2-Thiabicyclo[2.2.2]octane, 1,3,4-trimethyl-
CAS Number:
86759-89-9
Molecular Formula:
C10H18S
Molecular Weight:
170.3149
IUPAC Name:
1,3,4-trimethyl-2-thiabicyclo[2.2.2]octane
InChI:
InChI=1S/C10H18S/c1-8-9(2)4-6-10(3,11-8)7-5-9/h8H,4-7H2,1-3H3
InChI Key:
QIVGDZRYRORXGO-UHFFFAOYSA-N
SMILES:
CC1SC2(C)CCC1(C)CC2
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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