chempirical

S-Propyl-N-butyl-N-ethylthiocarbamate

C10H21NOSCAS 1114-71-2203.34 g/mol

Open in Covalent MOL file
NOS
Sulfide

Properties

Molecular formula
C10H21NOS
Molar mass
203.34 g/mol
Exact mass
203.1344 Da
Density
0.9458 g/mL (at 30 °C)
Melting point
below 25 °C
Boiling point
142 °C (at 20 Torr)
logP
3.37Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6

Identifiers

CAS number
1114-71-2
SMILES
CCCCN(CC)C(=O)SCCC
InChIKey
SGEJQUSYQTVSIU-UHFFFAOYSA-N
InChI
InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3

Weigh it out

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

Names and synonyms

12 names
  • Carbamothioic acid, N-butyl-N-ethyl-, S-propyl ester
  • Carbamic acid, butylethylthio-, S-propyl ester
  • Carbamothioic acid, butylethyl-, S-propyl ester
  • R 2061
  • PEBC
  • Pebulate
  • S-Propyl butylethylthiocarbamate
  • Stauffer R 2061
  • Tillam
  • S-Propyl-N-ethyl-N-butylthiocarbamate
  • Butylethylthiocarbamic acid S-propyl ester
  • Stauffer 2061

Work with S-Propyl-N-butyl-N-ethylthiocarbamate

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

Tetrabutylurea4559-86-848 % similar Molinate2212-67-147 % similar S-Ethyl dipropylthiocarbamate759-94-447 % similar N-Butyl-2-pyrrolidone3470-98-244 % similar N,N-Diethyldodecanamide3352-87-242 % similar N-Ethyl-2-pyrrolidone2687-91-441 % similar S-Propyl thioacetate2307-10-041 % similar Tetrabutylthiuram disulfide1634-02-240 % similar

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

Elsewhere

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