200,000+ products from a single source!
sales@angenechem.com
89342-74-5 | Benzoic acid, 3-[[(aminothioxomethyl)hydrazono]methyl]-4-hydroxy-
CAS No: 89342-74-5 Catalog No: AG003ZG9 MDL No:
Product Description
Catalog Number:
AG003ZG9
Chemical Name:
Benzoic acid, 3-[[(aminothioxomethyl)hydrazono]methyl]-4-hydroxy-
CAS Number:
89342-74-5
Molecular Formula:
C9H9N3O3S
Molecular Weight:
239.2511
IUPAC Name:
3-[(carbamothioylhydrazinylidene)methyl]-4-hydroxybenzoic acid
InChI:
InChI=1S/C9H9N3O3S/c10-9(16)12-11-4-6-3-5(8(14)15)1-2-7(6)13/h1-4,13H,(H,14,15)(H3,10,12,16)
InChI Key:
UHJVZGMCKKNRRS-UHFFFAOYSA-N
SMILES:
NC(=S)NN=Cc1cc(ccc1O)C(=O)O
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
239.249g/mol
Monoisotopic Mass:
239.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.