CAS 1072-71-5|1,3,4-Thiadiazole-2,5-dithiol|1,3,4-thiadiazole-2,5-dithiol|1,3,4-thiadiazole-2,5-dithiol|1,3,4-Thiadiazole-2,5-dithiol|2,5-二硫基-1,3,4-噻二唑|Bismuthiol I|Bismuththiol I|2,5-二巯基噻...

General Information

Structure

Molecular Formula

C₂H₂N₂S₃

Molecular Mass

150.24568

Exact Mass

149.93801107

Charge

InChI

InChI=1S/C2H2N2S3/c5-1-3-4-2(6)7-1/h(H,3,5)(H,4,6)

InChIKey

BIGYLAKFCGVRAN-UHFFFAOYSA-N

Canonic Smiles

Sc1nnc(s1)S

Isomeric Smiles

s1c(nnc1S)S

Calculated Properties

JChem

Acid pKa

5.7661357

H Acceptors

H Donor

LogD (pH = 5.5)

1.1221135

LogD (pH = 7.4)

-0.19579072

Log P

1.3032063

Molar Refractivity

36.3554

Polarizability

13.475303

Polar Surface Area

25.78

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

1,3,4-Thiadiazole-2,5-dithiol2,5-二硫基-1,3,4-噻二唑Bismuthiol I1,3,4-Thiadiazole-2,5-dithiol2,5-二巯基噻二唑Bismuththiol I铋试剂 IBismuthiol I2,5-Dimercapto-1,3,4-thiadiazole铋试剂 I2,5-二硫基-1,3,4-噻二唑1,3,4-Thiadiazole-2,5-dithiol2,5-Dimercapto-1,3,4-thiadiazole2,5-二巯基-1,3,4-噻二唑

IUPAC name

1,3,4-thiadiazole-2,5-dithiol

IUPAC Traditional name

1,3,4-thiadiazole-2,5-dithiol

Names and Identifiers

Registration numbers

PubChem SID

2489339924849080160998772

CAS Number

1072-71-5

EC Number

214-014-1