Home Other Building Blocks 1,1,1-trifluoro-5-isothiocyanatopentane

1,1,1-trifluoro-5-isothiocyanatopentane

CAS No.:
1549699-16-2
Catalog Number:
AG01BH3E
Molecular Formula:
C6H8F3NS
Molecular Weight:
183.1946
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Product Description
Catalog Number:
AG01BH3E
Chemical Name:
1,1,1-trifluoro-5-isothiocyanatopentane
CAS Number:
1549699-16-2
Molecular Formula:
C6H8F3NS
Molecular Weight:
183.1946
MDL Number:
MFCD24224697
IUPAC Name:
1,1,1-trifluoro-5-isothiocyanatopentane
InChI:
InChI=1S/C6H8F3NS/c7-6(8,9)3-1-2-4-10-5-11/h1-4H2
InChI Key:
CXSRZQIDYUCPTQ-UHFFFAOYSA-N
SMILES:
S=C=NCCCCC(F)(F)F
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.033g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.192g/mol
Monoisotopic Mass:
183.033g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties