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Home > Other Heterocycles > 19296-90-3
19296-90-3 | 2-Thiabicyclo[2.2.2]octane,1,5,5-trimethyl-, (+)-
CAS No: 19296-90-3 Catalog No: AG0073JB MDL No:
Product Description
Catalog Number:
AG0073JB
Chemical Name:
2-Thiabicyclo[2.2.2]octane,1,5,5-trimethyl-, (+)-
CAS Number:
19296-90-3
Molecular Formula:
C10H18S
Molecular Weight:
170.3149
IUPAC Name:
1,5,5-trimethyl-2-thiabicyclo[2.2.2]octane
InChI:
InChI=1S/C10H18S/c1-9(2)7-10(3)5-4-8(9)6-11-10/h8H,4-7H2,1-3H3
InChI Key:
UBYLTHQVRMOKLR-UHFFFAOYSA-N
SMILES:
CC12CCC(CS1)C(C2)(C)C
EC Number:
242-949-5
Properties
Complexity:
174
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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