Home Other Building Blocks 2,5-difluorobenzothiohydrazide 2,2,2-trifluoroacetate

2,5-difluorobenzothiohydrazide 2,2,2-trifluoroacetate

CAS No.:
1956363-93-1
Catalog Number:
AG01DJG4
Molecular Formula:
C9H7F5N2O2S
Molecular Weight:
302.2211
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Product Description
Catalog Number:
AG01DJG4
Chemical Name:
2,5-difluorobenzothiohydrazide 2,2,2-trifluoroacetate
CAS Number:
1956363-93-1
Molecular Formula:
C9H7F5N2O2S
Molecular Weight:
302.2211
MDL Number:
MFCD28991777
IUPAC Name:
2,5-difluorobenzenecarbothiohydrazide;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C7H6F2N2S.C2HF3O2/c8-4-1-2-6(9)5(3-4)7(12)11-10;3-2(4,5)1(6)7/h1-3H,10H2,(H,11,12);(H,6,7)
InChI Key:
WEBJWNGWKCUTLR-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.NNC(=S)c1cc(F)ccc1F
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.015g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
302.219g/mol
Monoisotopic Mass:
302.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties