Home Other Building Blocks 2-Pentanone, 4-mercapto-4-methyl-

2-Pentanone, 4-mercapto-4-methyl-

CAS No.:
19872-52-7
Catalog Number:
AG002BPB
Molecular Formula:
C6H12OS
Molecular Weight:
132.2239
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(GC)
In Stock USA
United States
$73
- +
5g
98%(GC)
In Stock USA
United States
$198
- +
25g
98%(GC)
In Stock USA
United States
$618
- +
Product Description
Catalog Number:
AG002BPB
Chemical Name:
2-Pentanone, 4-mercapto-4-methyl-
CAS Number:
19872-52-7
Molecular Formula:
C6H12OS
Molecular Weight:
132.2239
MDL Number:
MFCD00085208
IUPAC Name:
4-methyl-4-sulfanylpentan-2-one
InChI:
InChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChI Key:
QRNZMFDCKKEPSX-UHFFFAOYSA-N
SMILES:
CC(=O)CC(S)(C)C
EC Number:
243-386-8
UNII:
9524RG5ZQL
FEMA Number:
3997
Properties
Complexity:
96.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.061g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
132.221g/mol
Monoisotopic Mass:
132.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
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Properties