Home Other Building Blocks 4-methoxybenzothiohydrazide 2,2,2-trifluoroacetate

4-methoxybenzothiohydrazide 2,2,2-trifluoroacetate

CAS No.:
1956364-99-0
Catalog Number:
AG01DJAS
Molecular Formula:
C10H11F3N2O3S
Molecular Weight:
296.2661
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Product Description
Catalog Number:
AG01DJAS
Chemical Name:
4-methoxybenzothiohydrazide 2,2,2-trifluoroacetate
CAS Number:
1956364-99-0
Molecular Formula:
C10H11F3N2O3S
Molecular Weight:
296.2661
MDL Number:
MFCD28991872
IUPAC Name:
4-methoxybenzenecarbothiohydrazide;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C8H10N2OS.C2HF3O2/c1-11-7-4-2-6(3-5-7)8(12)10-9;3-2(4,5)1(6)7/h2-5H,9H2,1H3,(H,10,12);(H,6,7)
InChI Key:
YMDGQEHCOSJZQY-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.NNC(=S)c1ccc(cc1)OC
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.044g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
296.264g/mol
Monoisotopic Mass:
296.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties