Home Other Building Blocks 4-(cyclohexylsulfanyl)pentan-2-one

4-(cyclohexylsulfanyl)pentan-2-one

CAS No.:
1339740-03-2
Catalog Number:
AG01BXWU
Molecular Formula:
C11H20OS
Molecular Weight:
200.3409
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Product Description
Catalog Number:
AG01BXWU
Chemical Name:
4-(cyclohexylsulfanyl)pentan-2-one
CAS Number:
1339740-03-2
Molecular Formula:
C11H20OS
Molecular Weight:
200.3409
MDL Number:
MFCD20396334
IUPAC Name:
4-cyclohexylsulfanylpentan-2-one
InChI:
InChI=1S/C11H20OS/c1-9(12)8-10(2)13-11-6-4-3-5-7-11/h10-11H,3-8H2,1-2H3
InChI Key:
WLMAXCOAEBGCOE-UHFFFAOYSA-N
SMILES:
CC(CC(=O)C)SC1CCCCC1
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.123g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.34g/mol
Monoisotopic Mass:
200.123g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties