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5351-90-6 | Salicylaldehyde thiosemicarbazone
CAS No: 5351-90-6 Catalog No: AG003U6J MDL No:MFCD00188550
Product Description
Catalog Number:
AG003U6J
Chemical Name:
Salicylaldehyde thiosemicarbazone
CAS Number:
5351-90-6
Molecular Formula:
C8H9N3OS
Molecular Weight:
195.2416
MDL Number:
MFCD00188550
IUPAC Name:
[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
InChI:
InChI=1S/C8H9N3OS/c9-8(13)11-10-5-6-3-1-2-4-7(6)12/h1-5,12H,(H3,9,11,13)/b10-5+
InChI Key:
OHNSRYBTSVDDKA-BJMVGYQFSA-N
SMILES:
NC(=S)N/N=C/c1ccccc1O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
195.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
195.24g/mol
Monoisotopic Mass:
195.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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