Home Other Building Blocks S-Acetylthioacetic acid

S-Acetylthioacetic acid

CAS No.:
1190-93-8
Catalog Number:
AG000P1E
Molecular Formula:
C4H6O3S
Molecular Weight:
134.1536
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$294
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Product Description
Catalog Number:
AG000P1E
Chemical Name:
S-Acetylthioacetic acid
CAS Number:
1190-93-8
Molecular Formula:
C4H6O3S
Molecular Weight:
134.1536
MDL Number:
MFCD00021763
IUPAC Name:
2-acetylsulfanylacetic acid
InChI:
InChI=1S/C4H6O3S/c1-3(5)8-2-4(6)7/h2H2,1H3,(H,6,7)
InChI Key:
QSBWDKUBOZHGOU-UHFFFAOYSA-N
SMILES:
CC(=O)SCC(=O)O
EC Number:
214-725-7
Properties
Complexity:
110  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.004g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
134.149g/mol
Monoisotopic Mass:
134.004g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties