Home Other Building Blocks naphthalene-1-carbothiohydrazide 2,2,2-trifluoroacetate

naphthalene-1-carbothiohydrazide 2,2,2-trifluoroacetate

CAS No.:
1956319-83-7
Catalog Number:
AG01DJTY
Molecular Formula:
C13H11F3N2O2S
Molecular Weight:
316.2988
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Product Description
Catalog Number:
AG01DJTY
Chemical Name:
naphthalene-1-carbothiohydrazide 2,2,2-trifluoroacetate
CAS Number:
1956319-83-7
Molecular Formula:
C13H11F3N2O2S
Molecular Weight:
316.2988
MDL Number:
MFCD28991874
IUPAC Name:
naphthalene-1-carbothiohydrazide;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C11H10N2S.C2HF3O2/c12-13-11(14)10-7-3-5-8-4-1-2-6-9(8)10;3-2(4,5)1(6)7/h1-7H,12H2,(H,13,14);(H,6,7)
InChI Key:
NSXVMQYBEAGQDQ-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.NNC(=S)c1cccc2c1cccc2
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.049g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
316.298g/mol
Monoisotopic Mass:
316.049g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties