chempirical

S-Ethyl dipropylthiocarbamate

C9H19NOSCAS 759-94-4189.32 g/mol

Open in Covalent MOL file
NOS
Sulfide

Properties

Molecular formula
C9H19NOS
Molar mass
189.32 g/mol
Exact mass
189.1187 Da
Density
0.955 g/mL (at 30 °C)
Melting point
below 25 °C
Boiling point
127 °C (at 20 Torr)
logP
2.98Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
759-94-4
SMILES
CCCN(CCC)C(=O)SCC
InChIKey
GUVLYNGULCJVDO-UHFFFAOYSA-N
InChI
InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3

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Names and synonyms

14 names · show all
  • Carbamothioic acid, N,N-dipropyl-, S-ethyl ester
  • Carbamic acid, dipropylthio-, S-ethyl ester
  • Carbamothioic acid, dipropyl-, S-ethyl ester
  • R 1608
  • Eptam
  • Stauffer R 1608
  • EPTC (herbicide)
  • FDA 1541
  • Eptam 6E
  • Torbin
  • Niptan
  • Alirox
  • EPTC
  • NSC 40486

Work with S-Ethyl dipropylthiocarbamate

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

Molinate2212-67-170 % similar Butylate2008-41-555 % similar S-Propyl-N-butyl-N-ethylthiocarbamate1114-71-247 % similar S-Ethyl thioacetate625-60-543 % similar Ethyl chlorothioformate2941-64-238 % similar S-Propyl thioacetate2307-10-037 % similar S-Ethyl propanethioate2432-42-037 % similar Tetrabutylurea4559-86-835 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook