chempirical

N,N′-Diethylthiourea

C5H12N2SCAS 105-55-5132.22 g/mol

Open in Covalent MOL file
NSHNH
Thiol

Properties

Molecular formula
C5H12N2S
Molar mass
132.22 g/mol
Exact mass
132.0721 Da
Melting point
68–71 °C
logP
0.90Crippen estimate
Polar surface area
24.4 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Identifiers

CAS number
105-55-5
SMILES
CCN=C(S)NCC
InChIKey
FLVIGYVXZHLUHP-UHFFFAOYSA-N
InChI
InChI=1S/C5H12N2S/c1-3-6-5(8)7-4-2/h3-4H2,1-2H3,(H2,6,7,8)

Weigh it out

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

Names and synonyms

17 names · show all
  • Thiourea, N,N′-diethyl-
  • Urea, 1,3-diethyl-2-thio-
  • 1,3-Diethylthiourea
  • 1,3-Diethyl-2-thiourea
  • Pennzone E
  • U 15030
  • N,N′-Diethylthiocarbamide
  • Thiate H
  • Accel EUR
  • Nocceler EUR
  • NSC 3507
  • Robac DETU
  • Rhenogran DETU
  • Sanceler EUR
  • Diethylthiourea
  • Accelerator DETU
  • Accelerator EUR

Work with N,N′-Diethylthiourea

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

N,N′-Diethylurea623-76-750 % similar N,N'-Di-N-butylthiourea109-46-644 % similar Tetrahydropyrimidine-2-thione2055-46-143 % similar Ethylene thiourea96-45-741 % similar Ethylthiourea625-53-639 % similar Ethylurea625-52-536 % similar N1,N2-Diethylethanediamide615-84-933 % similar N-Butylhydrazinecarbothioamide6610-31-731 % similar

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

Same formula

N-Butylthiourea1516-32-1 Tetramethylthiourea2782-91-4 N-(1,1-Dimethylethyl)thiourea7204-48-0

Elsewhere

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