Home Sulfos 3-(Methylsulfonyl)-1-propyne

3-(Methylsulfonyl)-1-propyne

CAS No.:
111247-76-8
Catalog Number:
AG0096F6
Molecular Formula:
C4H6O2S
Molecular Weight:
118.1542
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$350
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Product Description
Catalog Number:
AG0096F6
Chemical Name:
3-(Methylsulfonyl)-1-propyne
CAS Number:
111247-76-8
Molecular Formula:
C4H6O2S
Molecular Weight:
118.1542
MDL Number:
MFCD16295421
IUPAC Name:
3-methylsulfonylprop-1-yne
InChI:
InChI=1S/C4H6O2S/c1-3-4-7(2,5)6/h1H,4H2,2H3
InChI Key:
ALPBMPMAKKNWNA-UHFFFAOYSA-N
SMILES:
C#CCS(=O)(=O)C
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.009g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.15g/mol
Monoisotopic Mass:
118.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties