Home Other Building Blocks S-Ethyl trifluorothioacetate

S-Ethyl trifluorothioacetate

CAS No.:
383-64-2
Catalog Number:
AG003U8S
Molecular Formula:
C4H5F3OS
Molecular Weight:
158.1421
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10g
97%
In Stock USA
United States
$194
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Product Description
Catalog Number:
AG003U8S
Chemical Name:
S-Ethyl trifluorothioacetate
CAS Number:
383-64-2
Molecular Formula:
C4H5F3OS
Molecular Weight:
158.1421
MDL Number:
MFCD00000421
IUPAC Name:
S-ethyl 2,2,2-trifluoroethanethioate
InChI:
InChI=1S/C4H5F3OS/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChI Key:
VGGUKFAVHPGNBF-UHFFFAOYSA-N
SMILES:
CCSC(=O)C(F)(F)F
EC Number:
206-852-1
NSC Number:
88936
Properties
Complexity:
109  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.001g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.138g/mol
Monoisotopic Mass:
158.001g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
A conformational and vibrational study of CF(3)COSCH(2)CH(3). The Journal of chemical physics 20091207
Properties