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Home > Other Heterocycles > 98585-81-0
98585-81-0 | Bicyclo[1.1.1]pentane, 1-(phenylthio)-
CAS No: 98585-81-0 Catalog No: AG00IK4T MDL No:
Product Description
Catalog Number:
AG00IK4T
Chemical Name:
Bicyclo[1.1.1]pentane, 1-(phenylthio)-
CAS Number:
98585-81-0
IUPAC Name:
1-phenylsulfanylbicyclo[1.1.1]pentane
InChI:
InChI=1S/C11H12S/c1-2-4-10(5-3-1)12-11-6-9(7-11)8-11/h1-5,9H,6-8H2
InChI Key:
AXGWEHWIGICNLX-UHFFFAOYSA-N
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.066g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.277g/mol
Monoisotopic Mass:
176.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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