N,N′-Bis(1,1-dimethylethyl)thiourea

C9H20N2SCAS 4041-95-6188.33 g/mol

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NSHNH
Thiol

Properties

Molecular formula
C9H20N2S
Molar mass
188.33 g/mol
Exact mass
188.1347 Da
Melting point
140–150 °C (decomposes)
logP
2.46Crippen estimate
Polar surface area
24.4 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
0

Hazards

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

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Identifiers

CAS number
4041-95-6
SMILES
CC(C)(C)N=C(S)NC(C)(C)C
InChIKey
LTMHEXFMSAISLN-UHFFFAOYSA-N
InChI
InChI=1S/C9H20N2S/c1-8(2,3)10-7(12)11-9(4,5)6/h1-6H3,(H2,10,11,12)

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Names and synonyms

9 names
  • Thiourea, N,N′-bis(1,1-dimethylethyl)-
  • Urea, 1,3-di-tert-butyl-2-thio-
  • N,N′-Di-tert-butylthiourea
  • 1,3-Di-tert-butylthiourea
  • 1,3-Di-tert-butyl-2-thiourea
  • 1,3-Di-t-butylthiourea
  • NSC 47496
  • 1,3-Ditert-butylthiourea
  • 1,3-(Di-tert-butyl)thiourea

Work with N,N′-Bis(1,1-dimethylethyl)thiourea

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-(tert-Butyl)thiourea7204-48-039 % similar Diafenthiuron80060-09-931 % similar 2-tert-Butyl-1,1,3,3-tetramethylguanidine29166-72-131 % similar tert-Butylurea1118-12-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N,N′-Dibutylthiourea109-46-6 Octylthiourea13281-03-3

Elsewhere

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