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Home > Other Heterocycles > 87007-04-3
87007-04-3 | 2-Thiabicyclo[2.2.2]octane, 3-methyl-
CAS No: 87007-04-3 Catalog No: AG004KAL MDL No:
Product Description
Catalog Number:
AG004KAL
Chemical Name:
2-Thiabicyclo[2.2.2]octane, 3-methyl-
CAS Number:
87007-04-3
Molecular Formula:
C8H14S
Molecular Weight:
142.2618
IUPAC Name:
3-methyl-2-thiabicyclo[2.2.2]octane
InChI:
InChI=1S/C8H14S/c1-6-7-2-4-8(9-6)5-3-7/h6-8H,2-5H2,1H3
InChI Key:
CTGOOGWOKZOXKM-UHFFFAOYSA-N
SMILES:
CC1SC2CCC1CC2
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.082g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
142.26g/mol
Monoisotopic Mass:
142.082g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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