N'-(3-methyl-1,3-be...

N'-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)pyridine-4-carbohydrazide(CAS No. 71085-97-7)

N'-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)pyridine-4-carbohydrazide(CAS No. 71085-97-7)

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  • Purity: 99%
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Keywords

N-[(3-methylbenzothiazol-2-ylidene)amino]pyridine-4-carboxamide 71085-97-7 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
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Details:

Name】
N'-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)pyridine-4-carbohydrazide
【CAS Registry number】
71085-97-7
【Synonyms】
AC1L7A8O
N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]pyridine-4-carboxamide
【Molecular Formula】
C14H12N4OS (Products with the same molecular formula)
【Molecular Weight】
284.3363
【Inchi】
InChI=1/C14H12N4OS/c1-18-11-4-2-3-5-12(11)20-14(18)17-16-13(19)10-6-8-15-9-7-10/h2-9H,1H3,(H,16,19)
【Canonical SMILES】
CN1C2=CC=CC=C2SC1=NNC(=O)C3=CC=NC=C3
【MOL File】
71085-97-7.mol
Chemical and Physical Properties
【Density】
1.36g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.705
【Flash Point】
°C
【Computed Properties】
Molecular Weight:284.33628 [g/mol]
Molecular Formula:C14H12N4OS
XLogP3-AA:2.2
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:2
Tautomer Count:2
Exact Mass:284.073182
MonoIsotopic Mass:284.073182
Topological Polar Surface Area:82.9
Heavy Atom Count:20
Formal Charge:0
Complexity:395
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:3
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:2

 

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