chempirical

N,N′-Bis(1-methylethyl)thiourea

C7H16N2SCAS 2986-17-6160.28 g/mol

Open in Covalent MOL file
NSHNH
Thiol

Properties

Molecular formula
C7H16N2S
Molar mass
160.28 g/mol
Exact mass
160.1034 Da
Melting point
142 °C
logP
1.68Crippen estimate
Polar surface area
24.4 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Identifiers

CAS number
2986-17-6
SMILES
CC(C)N=C(S)NC(C)C
InChIKey
KREOCUNMMFZOOS-UHFFFAOYSA-N
InChI
InChI=1S/C7H16N2S/c1-5(2)8-7(10)9-6(3)4/h5-6H,1-4H3,(H2,8,9,10)

Weigh it out

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

Names and synonyms

9 names
  • Thiourea, N,N′-bis(1-methylethyl)-
  • Urea, 1,3-diisopropyl-2-thio-
  • N,N′-Diisopropylthiourea
  • 1,3-Diisopropylthiourea
  • Diisopropylthiourea
  • 1,3-Diisopropyl-2-thiourea
  • NSC 8694
  • 1,3-Di(propan-2-yl)thiourea
  • 1,3-Bis(propan-2-yl)thiourea

Work with N,N′-Bis(1-methylethyl)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

4-Isopropylthiosemicarbazide13431-36-256 % similar 1,1-Dimethylethyl N,N′-bis(1-methylethyl)carbamimidate71432-55-842 % similar N-(1-Methylethyl)thiourea1719-76-241 % similar Dicyclohexylthiourea1212-29-932 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook