5-Phenyl-1,3,4-oxadiazole-2(3H)-thione | CAS No. 3004-42-0

5-Phenyl-1,3,4-oxadiazole-2(3H)-thione

Basic Information

CAS Number

3004-42-0

Molecular Formula

C8H6N2OS

Molecular Weight

178.22 g/mol

AD

Basic Physical Properties

Melting Point

218-220 ºC

Boiling Point

247.1°C at 760 mmHg

Water Solubility

Soluble in water.

Flash Point

103 ºC

Refractive Index

1.5690 (estimate)

C1=CC=C(C=C1)C2=NNC(=S)O2

InChI

InChI=1S/C8H6N2OS/c12-8-10-9-7(11-8)6-4-2-1-3-5-6/h1-5H,(H,10,12)

InChIKey

FOHWXVBZGSVUGO-UHFFFAOYSA-N

LogP

2.0252999999999997

Topological Polar Surface Area

38.92 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

221

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

  • BDBM152484
  • EN300-03297
  • Q27461580
  • IWT
  • 1,3,4-oxadiazole-2-thiol, 5-phenyl-
  • SCHEMBL406885
  • J-017746
  • 5-phenyl-1,3,4-oxadiazol-2-yl hydrosulfide
  • HMS1666K12
  • DTXSID4062773
  • HMS2273I12
  • AF-615/00099026
  • 1,3,4-Oxadiazole-2(3H)-thione, 5-phenyl-
  • 2-Phenyl-5-mercaptooxadiazole
  • AKOS000116272
  • NCGC00246482-01
  • 2-phenyl-5-mercapto-1,3,4-oxadiazole
  • PD119581
  • 2-Phenyl-1,3,4--oxadiazol-5-thiol
  • F3099-6031
  • InChI=1/C8H6N2OS/c12-8-10-9-7(11-8)6-4-2-1-3-5-6/h1-5H,(H,10,12)
  • MFCD00030467
  • 5-phenyl-2-mercapto-1,3,4-oxadiazole
  • 4oxocyclopentane-1,2-dicarboxylicacid
  • 5-phenyl-1,3,4-oxadiazaole-2-thiol
  • NS00028830
  • D95715
  • HMS1782D17
  • CCG-48741
  • Z55879312
  • 2-Phenyl-1,3,4-oxadiazole-5-thiol

MDL Number

MFCD00030467

Customs Code

2934999090

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