Molecule record

1-tert-butyl-3-[4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea

C23H32N2OS

384.59 g/mol

Loading structure

Molecular properties

Formula
C23H32N2OS
Molar mass
384.59 g·mol−1
Exact mass
384.2235 Da
9
PubChem CID
3034380

Functional groups

Alkane / alkyl carbon
Aromatic ring
Ether
Secondary amine

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1-tert-Butyl-3-(2,6-di-isopropyl-4-phenoxyphenyl)thiourea
  • 1-tert-butyl-3-(2,6-diisopropyl-4-phenoxyphenyl)thiourea
  • 22W5MDB01G
  • 3-(2,6-Diisopropyl-4-phenoxyphenyl)-1-tert-butylthiourea
  • 80060-09-9
  • C23H32N2OS
  • CGA 106630
  • CHEBI:39299
Show all 24 synonyms
  • DIAFENTHIURON [MI]
  • DTXCID9021845
  • DTXSID1041845
  • Diafenthiuron
  • Diafenthiuron (Standard)
  • Diafenthiuron [ISO]
  • MFCD01311814
  • N-(2,6-Bis(1-methylethyl)-4-phenoxyphenyl)-N'-(1,1-dimethylethyl)thiourea
  • Pegasus
  • Pegasus (pesticide)
  • Polo
  • RefChem:132583
  • SCHEMBL27926
  • Thiourea, N-(2,6-bis(1-methylethyl)-4-phenoxyphenyl)-N'-(1,1-dimethylethyl)-
  • UNII-22W5MDB01G
  • orb1690251

Structure identifiers

Canonical SMILES
CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(=S)NC(C)(C)C
Isomeric SMILES
CC(C)C1=CC(=CC(=C1NC(=S)NC(C)(C)C)C(C)C)OC2=CC=CC=C2
InChI
InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27)
InChIKey
WOWBFOBYOAGEEA-UHFFFAOYSA-N
PubChem CID
3034380

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 1-tert-butyl-3-[4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-tert-butyl-3-[4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record
1-tert-butyl-3-[4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea - Formula, Structure | ChemArche