Home Other Building Blocks 6-(trifluoromethyl)thiomorpholin-3-one

6-(trifluoromethyl)thiomorpholin-3-one

CAS No.:
1934491-30-1
Catalog Number:
AG01C18D
Molecular Formula:
C5H6F3NOS
Molecular Weight:
185.1674
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Product Description
Catalog Number:
AG01C18D
Chemical Name:
6-(trifluoromethyl)thiomorpholin-3-one
CAS Number:
1934491-30-1
Molecular Formula:
C5H6F3NOS
Molecular Weight:
185.1674
MDL Number:
MFCD30749900
IUPAC Name:
6-(trifluoromethyl)thiomorpholin-3-one
InChI:
InChI=1S/C5H6F3NOS/c6-5(7,8)3-1-9-4(10)2-11-3/h3H,1-2H2,(H,9,10)
InChI Key:
PRPCGNIOSFRVPD-UHFFFAOYSA-N
SMILES:
FC(C1SCC(=O)NC1)(F)F
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.012g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.164g/mol
Monoisotopic Mass:
185.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties