Home Other Building Blocks 1,1,1-trifluoro-2-isothiocyanatoethane

1,1,1-trifluoro-2-isothiocyanatoethane

CAS No.:
59488-39-0
Catalog Number:
AG019V1D
Molecular Formula:
C3H2F3NS
Molecular Weight:
141.1149
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Product Description
Catalog Number:
AG019V1D
Chemical Name:
1,1,1-trifluoro-2-isothiocyanatoethane
CAS Number:
59488-39-0
Molecular Formula:
C3H2F3NS
Molecular Weight:
141.1149
MDL Number:
MFCD09933479
IUPAC Name:
1,1,1-trifluoro-2-isothiocyanatoethane
InChI:
InChI=1S/C3H2F3NS/c4-3(5,6)1-7-2-8/h1H2
InChI Key:
GOXVPASJCHROBY-UHFFFAOYSA-N
SMILES:
S=C=NCC(F)(F)F
Properties
Complexity:
112  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.986g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.111g/mol
Monoisotopic Mass:
140.986g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties