chempirical

N,N′-Dibutylthiourea

C9H20N2SCAS 109-46-6188.33 g/mol

Open in Covalent MOL file
NSHNH
Thiol

Properties

Molecular formula
C9H20N2S
Molar mass
188.33 g/mol
Exact mass
188.1347 Da
Melting point
64 °C
Boiling point
122–128 °C (at 14 Torr)
logP
2.46Crippen estimate
Polar surface area
24.4 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
6

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
109-46-6
SMILES
CCCCN=C(S)NCCCC
InChIKey
KFFQABQEJATQAT-UHFFFAOYSA-N
InChI
InChI=1S/C9H20N2S/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)

Weigh it out

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

Names and synonyms

16 names · show all
  • N,N'-Dibutylthiourea
  • N,N'-Di-N-butylthiourea
  • Thiourea, N,N′-dibutyl-
  • Urea, 1,3-dibutyl-2-thio-
  • 1,3-Dibutylthiourea
  • Pennzone B
  • 1,3-Dibutyl-2-thiourea
  • Thiate U
  • Sanceler BUR
  • Accel BUR-F
  • NSC 3735
  • NSC 4148
  • Stannine 5525
  • Nocceler BUR
  • Accelerator DBTU
  • DBTU

Work with N,N′-Dibutylthiourea

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

Tetrahydropyrimidine-2-thione2055-46-169 % similar N-Butylhydrazinecarbothioamide6610-31-761 % similar Dibutylurea1792-17-258 % similar Ethylene thiourea96-45-756 % similar N-Butylthiourea1516-32-147 % similar N,N'-Diethylthiourea105-55-544 % similar Butylurea592-31-441 % similar Dibutylamine111-92-236 % similar

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

Same formula

Octylthiourea13281-03-3 N,N′-Bis(1,1-dimethylethyl)thiourea4041-95-6

Elsewhere

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