CAS 3690-46-8|5-(pyridin-3-yl)-1,3,4-oxadiazole-2-thiol|5-(pyridin-3-yl)-1,3,4-oxadiazole-2-thiol|5-(3-Pyridinyl)-1,3,4-oxadiazole-2-thiol|5-(3-Pyridyl)-1,3,4-oxadiazole-2-thiol|5-(3-吡啶基)-1,3,4-噁...

General Information

Structure

Molecular Formula

C₇H₅N₃OS

Molecular Mass

179.1991

Exact Mass

179.0153328

Charge

InChI

InChI=1S/C7H5N3OS/c12-7-10-9-6(11-7)5-2-1-3-8-4-5/h1-4H,(H,10,12)

InChIKey

QBLWWQDTKCIRSW-UHFFFAOYSA-N

Canonic Smiles

Sc1nnc(o1)c1cccnc1

Isomeric Smiles

o1c(nnc1S)c1cnccc1

Calculated Properties

JChem

Acid pKa

6.796009

H Acceptors

H Donor

LogD (pH = 5.5)

0.51390207

LogD (pH = 7.4)

-0.10059951

Log P

0.53924054

Molar Refractivity

57.4114

Polarizability

17.918676

Polar Surface Area

51.81

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

5-(pyridin-3-yl)-1,3,4-oxadiazole-2-thiol

IUPAC Traditional name

5-(pyridin-3-yl)-1,3,4-oxadiazole-2-thiol

Synonyms

5-(3-Pyridinyl)-1,3,4-oxadiazole-2-thiol5-(3-Pyridyl)-1,3,4-oxadiazole-2-thiol5-(3-吡啶基)-1,3,4-噁二唑-2-硫醇5-(3-Pyridinyl)-1,3,4-oxadiazole-2(3H)-thione5-(3-吡啶基)-1,3,4-噁二唑-2(3H)-硫酮5-Pyridin-3-yl-[1,3,4]oxadiazole-2-thiol5-(pyridin-3-yl)-1,3,4-oxadiazole-2-thiol

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties