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6956-36-1 | Carbonothioicdihydrazide, bis[(5-chloro-2-hydroxyphenyl)methylene]- (9CI)
CAS No: 6956-36-1 Catalog No: AG005KSL MDL No:
Product Description
Catalog Number:
AG005KSL
Chemical Name:
Carbonothioicdihydrazide, bis[(5-chloro-2-hydroxyphenyl)methylene]- (9CI)
CAS Number:
6956-36-1
Molecular Formula:
C15H12Cl2N4O2S
Molecular Weight:
383.2524
IUPAC Name:
1,3-bis[(5-chloro-2-hydroxyphenyl)methylideneamino]thiourea
InChI:
InChI=1S/C15H12Cl2N4O2S/c16-11-1-3-13(22)9(5-11)7-18-20-15(24)21-19-8-10-6-12(17)2-4-14(10)23/h1-8,22-23H,(H2,20,21,24)
InChI Key:
DJCOGVNAADFKNZ-UHFFFAOYSA-N
SMILES:
S=C(NN=Cc1cc(Cl)ccc1O)NN=Cc1cc(Cl)ccc1O
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.006g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
383.247g/mol
Monoisotopic Mass:
382.006g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.8
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