CAS 61296-22-8|2-Amino-5-bromothiazole hydrobromide|5-bromo-1,3-thiazol-2-amine hydrobromide|5-bromo-1,3-thiazol-2-amine hydrobromide|2-Amino-5-bromo-1,3-thiazole hydrobromide 97%|5-Bromo-1,3-thiazo...

General Information

Structure

Molecular Formula

C₃H₄Br₂N₂S

Molecular Mass

259.95026

Exact Mass

257.84619314

Charge

InChI

InChI=1S/C3H3BrN2S.BrH/c4-2-1-6-3(5)7-2;/h1H,(H2,5,6);1H

InChIKey

NUSVDASTCPBUIP-UHFFFAOYSA-N

Canonic Smiles

Brc1cnc(s1)N.Br

Isomeric Smiles

s1c(ncc1Br)N.Br

Calculated Properties

JChem

Acid pKa

16.285845

H Acceptors

H Donor

LogD (pH = 5.5)

1.4106334

LogD (pH = 7.4)

1.4219645

Log P

1.4221113

Molar Refractivity

32.2228

Polarizability

12.403206

Polar Surface Area

38.91

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

5-bromo-1,3-thiazol-2-amine hydrobromide

IUPAC Traditional name

5-bromo-1,3-thiazol-2-amine hydrobromide

Synonyms

2-Amino-5-bromothiazole hydrobromide2-Amino-5-bromo-1,3-thiazole hydrobromide 97%5-Bromo-1,3-thiazol-2-amine hydrobromide2-Amino-5-bromothiazole hydrobromide2-氨基-5-溴噻唑溴化氢盐2-氨基-5-溴噻唑单氢溴酸盐2-Amino-5-bromothiazole monohydrobromide

Names and Identifiers

Registration numbers

CAS Number

MDL Number

EC Number

PubChem SID

PubChem CID