CAS 37566-39-5|2-Amino-5-bromo-1,3,4-thiadiazole|5-bromo-1,3,4-thiadiazol-2-amine|5-bromo-1,3,4-thiadiazol-2-amine|5-bromo-1,3,4-thiadiazol-2-amine|5-Bromo-1,3,4-thiadiazol-2-amine|5-bromo-1,3,4-thi...

General Information

Structure

Molecular Formula

C₂H₂BrN₃S

Molecular Mass

180.02638

Exact Mass

178.91528008

Charge

InChI

InChI=1S/C2H2BrN3S/c3-1-5-6-2(4)7-1/h(H2,4,6)

InChIKey

GLYQQFBHCFPEEU-UHFFFAOYSA-N

Canonic Smiles

Nc1nnc(s1)Br

Isomeric Smiles

n1c(sc(n1)Br)N

Calculated Properties

JChem

Acid pKa

13.88995

H Acceptors

H Donor

LogD (pH = 5.5)

0.6676826

LogD (pH = 7.4)

0.66768295

Log P

0.66768306

Molar Refractivity

33.1877

Polarizability

11.743926

Polar Surface Area

51.8

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2-Amino-5-bromo-1,3,4-thiadiazole5-Bromo-1,3,4-thiadiazol-2-amine5-bromo-1,3,4-thiadiazol-2-amine5-Bromo-[1,3,4]thiadiazol-2-ylamine5-bromo-1,3,4-thiadiazol-2-ylamine5-Bromo-[1,3,4]thiadiazol-2-ylamine5-溴-1,3,4-噻二唑-2-胺2-Amino-5-bromo-1,3,4-thiadiazole2-氨基-5-溴-1,3,4-噻二唑

IUPAC name

5-bromo-1,3,4-thiadiazol-2-amine

IUPAC Traditional name

5-bromo-1,3,4-thiadiazol-2-amine

Names and Identifiers

Registration numbers

MDL Number

MFCD00464325

CAS Number

37566-39-5

PubChem SID

162058664