Molecular Structure of 1-tert-Butyl-3-phenylthiourea (CAS NO.14327-04-9):

IUPAC Name: 1-tert-Butyl-3-phenylthiourea 
Molecular Formula: C₁₁H₁₆N₂S
Molecular Weight: 208.32 
XLogP3-AA: 2.5
H-Bond Donor: 2
H-Bond Acceptor: 0 
Rotatable Bond Count: 2
Tautomer Count: 3
Exact Mass: 208.103419
MonoIsotopic Mass: 208.103419
Topological Polar Surface Area: 56.2
Heavy Atom Count: 14
Complexity: 190
Index of Refraction: 1.607
Molar Refractivity: 65.24 cm³
Molar Volume: 188.7 cm³
Surface Tension: 47.2 dyne/cm
Density: 1.103 g/cm³
Flash Point: 127.4 °C
Enthalpy of Vaporization: 52.62 kJ/mol
Boiling Point: 287.1 °C at 760 mmHg
Vapour Pressure: 0.00254 mmHg at 25 °C
Canonical SMILES: CC(C)(C)NC(=S)NC1=CC=CC=C1
InChI: InChI=1S/C11H16N2S/c1-11(2,3)13-10(14)12-9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,12,13,14)
InChIKey: JHMCTNQTJNGVRX-UHFFFAOYSA-N

 1-tert-Butyl-3-phenylthiourea (CAS NO.14327-04-9), its Synonyms are N-(1,1-Dimethylethyl)-N'-phenylthiourea ; Thiourea, N-(1,1-dimethylethyl)-N'-phenyl- ; Urea,1-tert-butyl-3-phenyl-2-thio- (6CI,8CI) ; N-tert-Butyl-N'-phenylthiourea .