Molecule record

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea

C9H16N4OS

228.32 g/mol

Loading structure

Molecular properties

Formula
C9H16N4OS
Molar mass
228.32 g·mol−1
Exact mass
228.1045 Da
4
PubChem CID
5383

Functional groups

Alkane / alkyl carbon
Amide
Secondary amine
Tertiary amine

Physical properties

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

Common names and synonyms

  • 1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-3-dimethylharnstoff
  • 251-793-7
  • 34014-18-1
  • Brulan
  • Brush bullet
  • Caswell No. 366AA
  • DTXCID704316
  • DTXSID3024316
Show all 24 synonyms
  • E5OX6GM11E
  • EL-103
  • Graslan
  • Graslan 250 brush bullets
  • N-(5-(1,1-Dimethylethyl)-1,3,4-thiadiazol-2-yl)-N,N'-dimethylurea
  • Perflan
  • Perfmid
  • Prefmid
  • RefChem:187658
  • SHA 105501
  • Spike
  • Spike 80W
  • Tebulan
  • Tiurolan
  • Urea, N-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-N,N'-dimethyl-
  • tebuthiuron

Structure identifiers

Canonical SMILES
CNC(=O)N(C)c1nnc(C(C)(C)C)s1
Isomeric SMILES
CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC
InChI
InChI=1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14)
InChIKey
HBPDKDSFLXWOAE-UHFFFAOYSA-N
PubChem CID
5383

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-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea; 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