Home Other Building Blocks 4,4,4-trifluorobutanethioamide

4,4,4-trifluorobutanethioamide

CAS No.:
1184850-75-6
Catalog Number:
AG01C019
Molecular Formula:
C4H6F3NS
Molecular Weight:
157.1573
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Product Description
Catalog Number:
AG01C019
Chemical Name:
4,4,4-trifluorobutanethioamide
CAS Number:
1184850-75-6
Molecular Formula:
C4H6F3NS
Molecular Weight:
157.1573
MDL Number:
MFCD20353091
IUPAC Name:
4,4,4-trifluorobutanethioamide
InChI:
InChI=1S/C4H6F3NS/c5-4(6,7)2-1-3(8)9/h1-2H2,(H2,8,9)
InChI Key:
QSVASTDIGBZAPA-UHFFFAOYSA-N
SMILES:
NC(=S)CCC(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:
157.017g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
157.154g/mol
Monoisotopic Mass:
157.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties