1-[[(Z)-(5-oxopyrid...

1-[[(Z)-(5-oxopyridin-2-ylidene)methyl]amino]-3-phenylthiourea 51984-40-8

1-[[(Z)-(5-oxopyridin-2-ylidene)methyl]amino]-3-phenylthiourea 51984-40-8

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 98% min
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Keywords

Hydrazinecarbothioamide, 2-[(5-hydroxy-2-pyridinyl)methylene]-N-phenyl- 1-[[(Z)-(5-oxopyridin-2-ylidene)methyl]amino]-3-phenylthiourea 51984-40-8

Quick Details

  • Appearance:Liquid
  • Application:Organic Chemicals
  • PackAge:As requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records

【Name】
2-[(5-oxopyridin-2(5H)-ylidene)methyl]-N-phenylhydrazinecarbothioamide
【CAS Registry number】
51984-40-8
【Synonyms】
AC1NTLUA
1-[(5-oxopyridin-2-ylidene)methylamino]-3-phenylthiourea
【Molecular Formula】
C13H12N4OS (Products with the same molecular formula)
【Molecular Weight】
272.3256
【Inchi】
InChI=1/C13H12N4OS/c18-12-7-6-11(14-9-12)8-15-17-13(19)16-10-4-2-1-3-5-10/h1-9,15H,(H2,16,17,19)
【Canonical SMILES】
C1=CC=C(C=C1)NC(=S)NNC=C2C=CC(=O)C=N2
【MOL File】
51984-40-8.mol

Chemical and Physical Properties

【Density】
1.29g/cm3
【Boiling Point】
403.5°C at 760 mmHg
【Refractive Index】
1.663
【Flash Point】
197.8°C
【Computed Properties】
Molecular Weight:272.32558 [g/mol]
Molecular Formula:C13H12N4OS
XLogP3-AA:1.5
H-Bond Donor:3
H-Bond Acceptor:4
Rotatable Bond Count:3
Tautomer Count:13
Exact Mass:272.073182
MonoIsotopic Mass:272.073182
Topological Polar Surface Area:97.6
Heavy Atom Count:19
Formal Charge:0
Complexity:436
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:3
Feature 3D Donor Count:3
Feature 3D Ring Count:2
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:100
 

 

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