1,3-bis(4-methylpyr...

1,3-bis(4-methylpyridin-2-yl)thiourea 5440-92-6

1,3-bis(4-methylpyridin-2-yl)thiourea 5440-92-6

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  • Purity: 99%
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N,N-Bis(4-methyl-2-pyridinyl)thiourea 5440-92-6 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:Room Temperature
  • Transportation:as requested

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Details:

【Name】
1,3-bis(4-methylpyridin-2-yl)thiourea
【Iupac name】
1,3-bis(4-methylpyridin-2-yl)thiourea
【CAS Registry number】
5440-92-6
【Synonyms】
NSC20617
N,N'
-Bis(4-methyl-2-pyridinyl)thiourea
5440-92-6
AC1MHFIE
NSC 20617
NSC-20617
1,3-bis(4-methylpyridin-2-yl)thiourea
【Molecular Formula】
C13H14N4S (Products with the same molecular formula)
【Molecular Weight】
258.3421
【Inchi】
InChI=1/C13H14N4S/c1-9-3-5-14-11(7-9)16-13(18)17-12-8-10(2)4-6-15-12/h3-8H,1-2H3,(H2,14,15,16,17,18)
【Canonical SMILES】
CC1=CC(=NC=C1)NC(=S)NC2=NC=CC(=C2)C
【MOL File】
5440-92-6.mol
Chemical and Physical Properties
【Density】
1.313g/cm3
【Boiling Point】
423.9°C at 760 mmHg
【Refractive Index】
1.725
【Flash Point】
210.2°C
【Computed Properties】
Molecular Weight:258.34206 [g/mol]
Molecular Formula:C13H14N4S
XLogP3-AA:2.3
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:2
Tautomer Count:12
Exact Mass:258.093917
MonoIsotopic Mass:258.093917
Topological Polar Surface Area:81.9
Heavy Atom Count:18
Formal Charge:0
Complexity:258
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:2
Feature 3D Cation Count:2
Feature 3D Ring Count:2
Effective Rotor Count:4
Conformer Sampling RMSD:0.6
CID Conformer Count:14

 

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