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166899-44-1 | Carbonothioic dihydrazide, 2,2'-bis[(2-hydroxy-3-methoxyphenyl)methylene]-
CAS No: 166899-44-1 Catalog No: AG001WZN MDL No:
Product Description
Catalog Number:
AG001WZN
Chemical Name:
Carbonothioic dihydrazide, 2,2'-bis[(2-hydroxy-3-methoxyphenyl)methylene]-
CAS Number:
166899-44-1
Molecular Formula:
C17H18N4O4S
Molecular Weight:
374.4142
IUPAC Name:
1,3-bis[(2-hydroxy-3-methoxyphenyl)methylideneamino]thiourea
InChI:
InChI=1S/C17H18N4O4S/c1-24-13-7-3-5-11(15(13)22)9-18-20-17(26)21-19-10-12-6-4-8-14(25-2)16(12)23/h3-10,22-23H,1-2H3,(H2,20,21,26)
InChI Key:
AYNLKEPREUDOJF-UHFFFAOYSA-N
SMILES:
COc1cccc(c1O)C=NNC(=S)NN=Cc1cccc(c1O)OC
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.105g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
374.415g/mol
Monoisotopic Mass:
374.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.5
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