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61296-22-8 molecular structure
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5-bromo-1,3-thiazol-2-amine hydrobromide

ChemBase ID: 64207
Molecular Formular: C3H4Br2N2S
Molecular Mass: 259.95026
Monoisotopic Mass: 257.84619314
SMILES and InChIs

SMILES:
s1c(ncc1Br)N.Br
Canonical SMILES:
Brc1cnc(s1)N.Br
InChI:
InChI=1S/C3H3BrN2S.BrH/c4-2-1-6-3(5)7-2;/h1H,(H2,5,6);1H
InChIKey:
NUSVDASTCPBUIP-UHFFFAOYSA-N

Cite this record

CBID:64207 http://www.chembase.cn/molecule-64207.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-1,3-thiazol-2-amine hydrobromide
IUPAC Traditional name
5-bromo-1,3-thiazol-2-amine hydrobromide
Synonyms
5-Bromo-1,3-thiazol-2-amine hydrobromide
2-Amino-5-bromo-1,3-thiazole hydrobromide 97%
2-Amino-5-bromothiazole monohydrobromide
2-Amino-5-bromothiazole hydrobromide
2-Amino-5-bromothiazole hydrobromide
2-氨基-5-溴噻唑 单氢溴酸盐
2-氨基-5-溴噻唑溴化氢盐
CAS Number
61296-22-8
EC Number
262-699-0
MDL Number
MFCD00012712
PubChem SID
24847815
162029946
PubChem CID
2723848

CALCULATED PROPERTIES

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 cm3 Polarizability 12.403206 Å3
Polar Surface Area 38.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
165 °C (dec.)(lit.) expand Show data source
165(dec.)°C expand Show data source
ca 165°C dec. expand Show data source
Storage Warning
Hygroscopic expand Show data source
IRRITANT expand Show data source
Irritant expand Show data source
RTECS
XJ1262200 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H319 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C3H3BrN2S · HBr expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 128023 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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