Home Halogens 4-(acetylsulfanyl)-1-chlorobutan-2-one

4-(acetylsulfanyl)-1-chlorobutan-2-one

CAS No.:
614760-04-2
Catalog Number:
AG01B9VT
Molecular Formula:
C6H9ClO2S
Molecular Weight:
180.6525
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Product Description
Catalog Number:
AG01B9VT
Chemical Name:
4-(acetylsulfanyl)-1-chlorobutan-2-one
CAS Number:
614760-04-2
Molecular Formula:
C6H9ClO2S
Molecular Weight:
180.6525
MDL Number:
MFCD28397427
IUPAC Name:
S-(4-chloro-3-oxobutyl) ethanethioate
InChI:
InChI=1S/C6H9ClO2S/c1-5(8)10-3-2-6(9)4-7/h2-4H2,1H3
InChI Key:
LRDGFGVIPZFPEW-UHFFFAOYSA-N
SMILES:
ClCC(=O)CCSC(=O)C
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.001g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.646g/mol
Monoisotopic Mass:
180.001g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties