Home Other Building Blocks 2-(methylsulfanyl)cyclobutan-1-one

2-(methylsulfanyl)cyclobutan-1-one

CAS No.:
130647-49-3
Catalog Number:
AG01C3WQ
Molecular Formula:
C5H8OS
Molecular Weight:
116.1814
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Product Description
Catalog Number:
AG01C3WQ
Chemical Name:
2-(methylsulfanyl)cyclobutan-1-one
CAS Number:
130647-49-3
Molecular Formula:
C5H8OS
Molecular Weight:
116.1814
MDL Number:
MFCD29762910
IUPAC Name:
2-methylsulfanylcyclobutan-1-one
InChI:
InChI=1S/C5H8OS/c1-7-5-3-2-4(5)6/h5H,2-3H2,1H3
InChI Key:
PSTCGUAYMREYFN-UHFFFAOYSA-N
SMILES:
CSC1CCC1=O
Properties
Complexity:
90.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.03g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.178g/mol
Monoisotopic Mass:
116.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties