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

1,1-difluoro-2-isothiocyanatoethane

CAS No.:
675-37-6
Catalog Number:
AG01B69P
Molecular Formula:
C3H3F2NS
Molecular Weight:
123.1244
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Product Description
Catalog Number:
AG01B69P
Chemical Name:
1,1-difluoro-2-isothiocyanatoethane
CAS Number:
675-37-6
Molecular Formula:
C3H3F2NS
Molecular Weight:
123.1244
MDL Number:
MFCD24202049
IUPAC Name:
1,1-difluoro-2-isothiocyanatoethane
InChI:
InChI=1S/C3H3F2NS/c4-3(5)1-6-2-7/h3H,1H2
InChI Key:
QSYFXGFOOGXXBK-UHFFFAOYSA-N
SMILES:
FC(CN=C=S)F
Properties
Complexity:
86.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.995g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.121g/mol
Monoisotopic Mass:
122.995g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties