1-(4-methylbenzenec...

1-(4-methylbenzenecarbothioyl)-3-phenylurea 51933-50-7

1-(4-methylbenzenecarbothioyl)-3-phenylurea 51933-50-7

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1 Gram

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  • Purity: 99%
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Keywords

Benzenecarbothioamide,4-methyl-N-[(phenylamino)carbonyl]- 1-(4-methylbenzenecarbothioyl)-3-phenylurea 51933-50-7

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:10|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
Benzenecarbothioamide,4-methyl-N-[(phenylamino)carbonyl]-
【Iupac name】
1-(4-methylbenzenecarbothioyl)-3-phenylurea
【CAS Registry number】
51933-50-7
【Synonyms】
NSC 240982
【Molecular Formula】
C15H14 N2 O S (Products with the same molecular formula)
【Molecular Weight】
270.3495
【Inchi】
InChI=1/C15H14N2OS/c1-11-7-9-12(10-8-11)14(19)17-15(18)16-13-5-3-2-4-6-13/h2-10H,1H3,(H2,16,17,18,19)
【Canonical SMILES】
CC1=CC=C(C=C1)C(=S)NC(=O)NC2=CC=CC=C2
Chemical and Physical Properties
【Density】
1.258g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.679
【Flash Point】
°C
【Computed Properties】
Molecular Weight:270.34946 [g/mol]
Molecular Formula:C15H14N2OS
XLogP3:3.8
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:2
Tautomer Count:18
Exact Mass:270.082684
MonoIsotopic Mass:270.082684
Topological Polar Surface Area:73.2
Heavy Atom Count:19
Formal Charge:0
Complexity:318
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:2
Feature 3D Donor Count:2
Feature 3D Ring Count:2
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:21

 

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