Home Other Building Blocks (Allylthio)acetic acid

(Allylthio)acetic acid

CAS No.:
20600-63-9
Catalog Number:
AG002AGK
Molecular Formula:
C5H8O2S
Molecular Weight:
132.1808
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG002AGK
Chemical Name:
(Allylthio)acetic acid
CAS Number:
20600-63-9
Molecular Formula:
C5H8O2S
Molecular Weight:
132.1808
MDL Number:
MFCD00457441
IUPAC Name:
2-prop-2-enylsulfanylacetic acid
InChI:
InChI=1S/C5H8O2S/c1-2-3-8-4-5(6)7/h2H,1,3-4H2,(H,6,7)
InChI Key:
BLSMRHBHPHGMSV-UHFFFAOYSA-N
SMILES:
C=CCSCC(=O)O
NSC Number:
208861
Properties
Complexity:
90.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.025g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
132.177g/mol
Monoisotopic Mass:
132.025g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties