S-{2-[methyl(phenyl...

S-{2-[methyl(phenyl)amino]-2-oxoethyl} carbamothioate(CAS No. 5462-68-0)

S-{2-[methyl(phenyl)amino]-2-oxoethyl} carbamothioate(CAS No. 5462-68-0)

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Keywords

2-carbamoylsulfanyl-N-methyl-N-phenyl-acetamide 5462-68-0 C10H12N2O2S

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  • Appearance:Solid
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Details:

【Name】
S-{2-[methyl(phenyl)amino]-2-oxoethyl} carbamothioate
【Iupac name】
S-[2-(N-methylanilino)-2-oxoethyl] carbamothioate
【CAS Registry number】
5462-68-0
【Synonyms】
s-{2-[methyl(phenyl)amino]-2-oxoethyl} carbamothioate
5462-68-0
NSC13349
AC1L5DGV
AC1Q68UV
AR-1L3904
NSC-13349
S-[2-(N-methylanilino)-2-oxoethyl] carbamothioate
【Molecular Formula】
C10H12N2O2S (Products with the same molecular formula)
【Molecular Weight】
224.2795
【Inchi】
InChI=1/C10H12N2O2S/c1-12(8-5-3-2-4-6-8)9(13)7-15-10(11)14/h2-6H,7H2,1H3,(H2,11,14)
【Canonical SMILES】
CN(C1=CC=CC=C1)C(=O)CSC(=O)N
【MOL File】
5462-68-0.mol
Chemical and Physical Properties
【Density】
1.301g/cm3
【Boiling Point】
380°C at 760 mmHg
【Refractive Index】
1.631
【Flash Point】
183.6°C
【Computed Properties】
Molecular Weight:224.27948 [g/mol]
Molecular Formula:C10H12N2O2S
XLogP3-AA:1.2
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:4
Tautomer Count:2
Exact Mass:224.061948
MonoIsotopic Mass:224.061948
Topological Polar Surface Area:88.7
Heavy Atom Count:15
Formal Charge:0
Complexity:240
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:1
Feature 3D Ring Count:1
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:184

 

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