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42105-30-6 | (trifluoromethylthio)acetone
CAS No: 42105-30-6 Catalog No: AG01EVWN MDL No:
Product Description
Catalog Number:
AG01EVWN
Chemical Name:
(trifluoromethylthio)acetone
CAS Number:
42105-30-6
Molecular Formula:
C4H5F3OS
Molecular Weight:
158.1421
IUPAC Name:
1-(trifluoromethylsulfanyl)propan-2-one
InChI:
InChI=1S/C4H5F3OS/c1-3(8)2-9-4(5,6)7/h2H2,1H3
InChI Key:
INWKNMFZRQVEOE-UHFFFAOYSA-N
SMILES:
CC(=O)CSC(F)(F)F
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:
1.8
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