chempirical

Thiophanate-methyl

C12H14N4O4S2CAS 23564-05-8342.39 g/mol

Open in Covalent MOL file
OONHSHNNHSNHOO
Thiol

Properties

Molecular formula
C12H14N4O4S2
Molar mass
342.39 g/mol
Exact mass
342.0456 Da
Density
1.55 g/mL
Melting point
172 °C (decomposes)
logP
2.64Crippen estimate
Polar surface area
108.4 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
2

Identifiers

CAS number
23564-05-8
SMILES
COC(O)=NC(S)=Nc1ccccc1N=C(S)N=C(O)OC
InChIKey
QGHREAKMXXNCOA-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

58 names · show all
  • Cercobin M 70
  • Carbamic acid, N,N′-[1,2-phenylenebis(iminocarbonothioyl)]bis-, C,C′-dimethyl ester
  • Allophanic acid, 4,4′-o-phenylenebis[3-thio-, dimethyl ester
  • Carbamic acid, [1,2-phenylenebis(iminocarbonothioyl)]bis-, dimethyl ester
  • Methylthiophanate
  • Thiophanate methyl
  • Dimethyl 4,4′-o-phenylenebis(3-thioallophanate)
  • Methylthiofanate
  • o-Bis(3-methoxycarbonyl-2-thioureido)benzene
  • NF 44
  • TD 1771
  • Topsin M
  • Topsin NF 44
  • Thiophanate M
  • Cercobin M
  • 1,2-Bis[3-(methoxycarbonyl)-2-thioureido]benzene
  • Methyl topsin
  • Enovit M
  • 1,2-Bis(methoxycarbonylthioureido)benzene
  • Pelt 14
  • BAS 32500F
  • Cercobin methyl
  • Pelt 44
  • Neotopsin
  • Topsin methyl
  • Fungo
  • Enovit super
  • Easout
  • F 6385
  • Enovit-methyl
  • Mildothane
  • PEI 190
  • Caligran
  • Metoben
  • Enovit M 70
  • Cycosin
  • Topsin M 70
  • Thiopan
  • Topsin MD
  • Tops
  • Rilon
  • NSC 170811
  • Roko
  • Cleary's 3336
  • 3336G
  • Topsin 500SC
  • Sunphanate
  • Topsin WP
  • Topsin M 70WP
  • Topsin M 500SC
  • Senator
  • Senator 70W
  • Senator (carbamate)
  • Cercobin FL
  • Pelt
  • Pelt (pesticide)
  • Cercobin
  • Topgin M

Work with Thiophanate-methyl

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Thiophanate23564-06-964 % similar Methyl N-(7-hydroxy-1-naphthalenyl)carbamate132-63-840 % similar Carbendazim10605-21-739 % similar (αR)-α-[(Methoxycarbonyl)amino]benzeneacetic acid50890-96-539 % similar Febantel58306-30-238 % similar N-Benzyloxycarbonylglycine methyl ester1212-53-936 % similar Methyl N-(3,4-dichlorophenyl)carbamate1918-18-936 % similar Asulam3337-71-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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