S-{2-[(4-methylphen...

S-{2-[(4-methylphenyl)amino]-2-oxoethyl} carbamothioate 5429-05-0

S-{2-[(4-methylphenyl)amino]-2-oxoethyl} carbamothioate 5429-05-0

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

2-carbamoylsulfanyl-N-(4-methylphenyl)acetamide 5429-05-0 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】
S-{2-[(4-methylphenyl)amino]-2-oxoethyl} carbamothioate
【Iupac name】
S-[2-(4-methylanilino)-2-oxoethyl] carbamothioate
【CAS Registry number】
5429-05-0
【Synonyms】
carbamothioic acid, S-[2-[(4-methylphenyl)amino]-2-oxoethyl] ester
S-{2-[(4-Methylphenyl)amino]-2-oxoethyl} carbamothioate
【Molecular Formula】
C10H12N2O2S (Products with the same molecular formula)
【Molecular Weight】
224.2795
【Inchi】
InChI=1/C10H12N2O2S/c1-7-2-4-8(5-3-7)12-9(13)6-15-10(11)14/h2-5H,6H2,1H3,(H2,11,14)(H,12,13)
【Canonical SMILES】
CC1=CC=C(C=C1)NC(=O)CSC(=O)N
【MOL File】
5429-05-0.mol
Chemical and Physical Properties
【Density】
1.318g/cm3
【Refractive Index】
1.643
【Computed Properties】
Molecular Weight:224.27948 [g/mol]
Molecular Formula:C10H12N2O2S
XLogP3-AA:1.4
H-Bond Donor:2
H-Bond Acceptor:3
Rotatable Bond Count:4
Tautomer Count:6
Exact Mass:224.061948
MonoIsotopic Mass:224.061948
Topological Polar Surface Area:97.5
Heavy Atom Count:15
Formal Charge:0
Complexity:238
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 Ring Count:1
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:52

 

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