Home Halogens 3-[(3-chlorophenyl)sulfanyl]butan-2-one

3-[(3-chlorophenyl)sulfanyl]butan-2-one

CAS No.:
1250927-50-4
Catalog Number:
AG01C033
Molecular Formula:
C10H11ClOS
Molecular Weight:
214.7117
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Product Description
Catalog Number:
AG01C033
Chemical Name:
3-[(3-chlorophenyl)sulfanyl]butan-2-one
CAS Number:
1250927-50-4
Molecular Formula:
C10H11ClOS
Molecular Weight:
214.7117
MDL Number:
MFCD16835843
IUPAC Name:
3-(3-chlorophenyl)sulfanylbutan-2-one
InChI:
InChI=1S/C10H11ClOS/c1-7(12)8(2)13-10-5-3-4-9(11)6-10/h3-6,8H,1-2H3
InChI Key:
JFRGLGHCIROEPU-UHFFFAOYSA-N
SMILES:
CC(=O)C(Sc1cccc(c1)Cl)C
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.022g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.707g/mol
Monoisotopic Mass:
214.022g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties