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6970-40-7 | Carbonothioicdihydrazide, bis[(4-hydroxyphenyl)methylene]- (9CI)
CAS No: 6970-40-7 Catalog No: AG005IVP MDL No:
Product Description
Catalog Number:
AG005IVP
Chemical Name:
Carbonothioicdihydrazide, bis[(4-hydroxyphenyl)methylene]- (9CI)
CAS Number:
6970-40-7
Molecular Formula:
C15H14N4O2S
Molecular Weight:
314.3623
IUPAC Name:
1,3-bis[(4-hydroxyphenyl)methylideneamino]thiourea
InChI:
InChI=1S/C15H14N4O2S/c20-13-5-1-11(2-6-13)9-16-18-15(22)19-17-10-12-3-7-14(21)8-4-12/h1-10,20-21H,(H2,18,19,22)
InChI Key:
UHYBPVHQQAQPBP-UHFFFAOYSA-N
SMILES:
S=C(NN=Cc1ccc(cc1)O)NN=Cc1ccc(cc1)O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
314.363g/mol
Monoisotopic Mass:
314.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.5
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