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55506-37-1 molecular structure
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5-chloro-1,3-thiazol-2-amine hydrochloride

ChemBase ID: 67427
Molecular Formular: C3H4Cl2N2S
Molecular Mass: 171.04826
Monoisotopic Mass: 169.9472245
SMILES and InChIs

SMILES:
s1c(ncc1Cl)N.Cl
Canonical SMILES:
Clc1cnc(s1)N.Cl
InChI:
InChI=1S/C3H3ClN2S.ClH/c4-2-1-6-3(5)7-2;/h1H,(H2,5,6);1H
InChIKey:
GTMGFQYVLSQTKP-UHFFFAOYSA-N

Cite this record

CBID:67427 http://www.chembase.cn/molecule-67427.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-1,3-thiazol-2-amine hydrochloride
IUPAC Traditional name
thiazole, 2-amino-5-chloro- hydrochloride
Synonyms
5-Chlorothiazol-2-amine hydrochloride
(5-Chlorothiazol-2-yl)amine hydrochloride
2-Amino-5-chlorothiazole hydrochloride
2-氨基-5-氯噻唑 盐酸盐
CAS Number
55506-37-1
EC Number
259-680-4
MDL Number
MFCD00039006
PubChem SID
162033162
24848586
PubChem CID
148743

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 148743 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.498804  H Acceptors
H Donor LogD (pH = 5.5) 1.2472265 
LogD (pH = 7.4) 1.2572734  Log P 1.2574033 
Molar Refractivity 29.4048 cm3 Polarizability 11.307244 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
164-167 °C (dec.)(lit.) expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
XJ1262800 expand Show data source
European Hazard Symbols
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
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H302-H315-H317-H318-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
Empirical Formula (Hill Notation)
C3H3ClN2S · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 143456 external link
Packaging
5, 25 g in glass bottle
Application

• Reactant for preparation of biologically active thiazole derivatives1,2

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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