Home Other Building Blocks 3-(trifluoromethyl)-1,4-thiazepane

3-(trifluoromethyl)-1,4-thiazepane

CAS No.:
1462361-43-8
Catalog Number:
AG01BJ9U
Molecular Formula:
C6H10F3NS
Molecular Weight:
185.2105
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Product Description
Catalog Number:
AG01BJ9U
Chemical Name:
3-(trifluoromethyl)-1,4-thiazepane
CAS Number:
1462361-43-8
Molecular Formula:
C6H10F3NS
Molecular Weight:
185.2105
MDL Number:
MFCD21722075
IUPAC Name:
3-(trifluoromethyl)-1,4-thiazepane
InChI:
InChI=1S/C6H10F3NS/c7-6(8,9)5-4-11-3-1-2-10-5/h5,10H,1-4H2
InChI Key:
TWDUPYSXQSNHGB-UHFFFAOYSA-N
SMILES:
FC(C1CSCCCN1)(F)F
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.049g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.208g/mol
Monoisotopic Mass:
185.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties