Home Sulfos (1s,3s)-3-(phenylsulfanyl)cyclobutyl methanesulfonate

(1s,3s)-3-(phenylsulfanyl)cyclobutyl methanesulfonate

CAS No.:
2059914-63-3
Catalog Number:
AG01C03P
Molecular Formula:
C11H14O3S2
Molecular Weight:
258.3571
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Product Description
Catalog Number:
AG01C03P
Chemical Name:
(1s,3s)-3-(phenylsulfanyl)cyclobutyl methanesulfonate
CAS Number:
2059914-63-3
Molecular Formula:
C11H14O3S2
Molecular Weight:
258.3571
IUPAC Name:
(3-phenylsulfanylcyclobutyl) methanesulfonate
InChI:
InChI=1S/C11H14O3S2/c1-16(12,13)14-9-7-11(8-9)15-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChI Key:
JMSGLCMLAGAKJL-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O[C@@H]1C[C@@H](C1)Sc1ccccc1
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.038g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.35g/mol
Monoisotopic Mass:
258.038g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties