Home Other Building Blocks benzothiohydrazide 2,2,2-trifluoroacetate

benzothiohydrazide 2,2,2-trifluoroacetate

CAS No.:
1956307-26-8
Catalog Number:
AG01DI8F
Molecular Formula:
C9H9F3N2O2S
Molecular Weight:
266.2402
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Product Description
Catalog Number:
AG01DI8F
Chemical Name:
benzothiohydrazide 2,2,2-trifluoroacetate
CAS Number:
1956307-26-8
Molecular Formula:
C9H9F3N2O2S
Molecular Weight:
266.2402
MDL Number:
MFCD28991868
IUPAC Name:
benzenecarbothiohydrazide;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C7H8N2S.C2HF3O2/c8-9-7(10)6-4-2-1-3-5-6;3-2(4,5)1(6)7/h1-5H,8H2,(H,9,10);(H,6,7)
InChI Key:
NVJMOTRCSQTUNN-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.NNC(=S)c1ccccc1
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.034g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
266.238g/mol
Monoisotopic Mass:
266.034g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties