CAS 2349-67-9|5-amino-1,3,4-thiadiazole-2-thiol|5-amino-1,3,4-thiadiazole-2-thiol|5-amino-1,3,4-thiadiazole-2-thiol|2-Amino-5-mercapto-1,3,4-thiadiazole|5-Amino-1,3,4-thiadiazole-2-thiol|2-Amino-5-m...

General Information

Structure

Molecular Formula

C₂H₃N₃S₂

Molecular Mass

133.19532

Exact Mass

132.97683911

Charge

InChI

InChI=1S/C2H3N3S2/c3-1-4-5-2(6)7-1/h(H2,3,4)(H,5,6)

InChIKey

GDGIVSREGUOIJZ-UHFFFAOYSA-N

Canonic Smiles

Nc1nnc(s1)S

Isomeric Smiles

s1c(nnc1N)S

Calculated Properties

JChem

Acid pKa

6.493155

H Acceptors

H Donor

LogD (pH = 5.5)

0.34070203

LogD (pH = 7.4)

-0.46175906

Log P

0.38107315

Molar Refractivity

33.046

Polarizability

11.564182

Polar Surface Area

51.8

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

5-amino-1,3,4-thiadiazole-2-thiol

IUPAC Traditional name

5-amino-1,3,4-thiadiazole-2-thiol

Synonyms

5-amino-1,3,4-thiadiazole-2-thiol2-Amino-5-mercapto-1,3,4-thiadiazole5-Amino-1,3,4-thiadiazole-2-thiol2-Amino-5-mercapto-1,3,4-thiadiazole2-Amino-5-mercapto-1,3,4-thiadiazole5-氨基-1,3,4-噻二唑-2-硫醇2-氨基-5-巯基-1,3,4-噻二唑5-Amino-1,3,4-thiadiazole-2-thiol2-氨基-5-巯基-1,3,4-噻二唑

Names and Identifiers

Registration numbers

MDL Number

Beilstein Number

CAS Number

EC Number

PubChem SID