chempirical

Butylate

C11H23NOSCAS 2008-41-5217.37 g/mol

Open in Covalent MOL file
SON
Sulfide

Properties

Molecular formula
C11H23NOS
Molar mass
217.37 g/mol
Exact mass
217.1500 Da
Density
0.9402 g/mL (at 25 °C)
Melting point
below 25 °C
Boiling point
137.5–138 °C (at 21 Torr)
logP
3.47Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
2008-41-5
SMILES
CCSC(=O)N(CC(C)C)CC(C)C
InChIKey
BMTAFVWTTFSTOG-UHFFFAOYSA-N
InChI
InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Carbamothioic acid, N,N-bis(2-methylpropyl)-, S-ethyl ester
  • Carbamic acid, diisobutylthio-, S-ethyl ester
  • Carbamothioic acid, bis(2-methylpropyl)-, S-ethyl ester
  • Ethyl N,N-diisobutylthiocarbamate
  • Ethyl-N,N-diisobutyl thiolcarbamate
  • Stauffer R 1910
  • R 1910
  • Sutan
  • S-Ethyl diisobutylthiocarbamate
  • S-Ethyl N,N-diisobutylthiolcarbamate
  • S-Ethyl N,N-diisobutylthiocarbamate
  • Butilate
  • Diisocarb
  • Anelda

Work with Butylate

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

Molinate2212-67-155 % similar S-Ethyl dipropylthiocarbamate759-94-455 % similar S-Ethyl thioacetate625-60-540 % similar Tetraisobutylthiuram disulfide3064-73-139 % similar Ethyl chlorothioformate2941-64-235 % similar S-Ethyl propanethioate2432-42-034 % similar 1-Isobutyl-4-piperidinone72544-16-234 % similar S-Propyl-N-butyl-N-ethylthiocarbamate1114-71-233 % similar

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

Elsewhere

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