Home Other Building Blocks 3-(phenylsulfanyl)cyclobutan-1-one

3-(phenylsulfanyl)cyclobutan-1-one

CAS No.:
1704377-52-5
Catalog Number:
AG01BXGI
Molecular Formula:
C10H10OS
Molecular Weight:
178.2508
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Product Description
Catalog Number:
AG01BXGI
Chemical Name:
3-(phenylsulfanyl)cyclobutan-1-one
CAS Number:
1704377-52-5
Molecular Formula:
C10H10OS
Molecular Weight:
178.2508
MDL Number:
MFCD30487513
IUPAC Name:
3-phenylsulfanylcyclobutan-1-one
InChI:
InChI=1S/C10H10OS/c11-8-6-10(7-8)12-9-4-2-1-3-5-9/h1-5,10H,6-7H2
InChI Key:
AGCHJUMIEFLHIP-UHFFFAOYSA-N
SMILES:
O=C1CC(C1)Sc1ccccc1
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.045g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.249g/mol
Monoisotopic Mass:
178.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties