Home Other Building Blocks methyl 2-[1-(phenylsulfanyl)cyclobutyl]acetate

methyl 2-[1-(phenylsulfanyl)cyclobutyl]acetate

CAS No.:
1443980-31-1
Catalog Number:
AG01A5TO
Molecular Formula:
C13H16O2S
Molecular Weight:
236.3299
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Product Description
Catalog Number:
AG01A5TO
Chemical Name:
methyl 2-[1-(phenylsulfanyl)cyclobutyl]acetate
CAS Number:
1443980-31-1
Molecular Formula:
C13H16O2S
Molecular Weight:
236.3299
MDL Number:
MFCD24843031
IUPAC Name:
methyl 2-(1-phenylsulfanylcyclobutyl)acetate
InChI:
InChI=1S/C13H16O2S/c1-15-12(14)10-13(8-5-9-13)16-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3
InChI Key:
MBPAEVZEZTVOFN-UHFFFAOYSA-N
SMILES:
COC(=O)CC1(CCC1)Sc1ccccc1
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.087g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.329g/mol
Monoisotopic Mass:
236.087g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties