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Home > Other Heterocycles > 88142-14-7
88142-14-7 | Bicyclo[2.2.1]hept-2-ene, 2-(butylthio)-1,7,7-trimethyl-, (1R)-
CAS No: 88142-14-7 Catalog No: AG004D8L MDL No:
Product Description
Catalog Number:
AG004D8L
Chemical Name:
Bicyclo[2.2.1]hept-2-ene, 2-(butylthio)-1,7,7-trimethyl-, (1R)-
CAS Number:
88142-14-7
Molecular Formula:
C14H24S
Molecular Weight:
224.4054
IUPAC Name:
(1R)-2-butylsulfanyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
InChI:
InChI=1S/C14H24S/c1-5-6-9-15-12-10-11-7-8-14(12,4)13(11,2)3/h10-11H,5-9H2,1-4H3/t11?,14-/m0/s1
InChI Key:
XFXQIXCSWMVDHW-IAXJKZSUSA-N
SMILES:
CCCCSC1=CC2C([C@@]1(C)CC2)(C)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
224.16g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.406g/mol
Monoisotopic Mass:
224.16g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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