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55506-37-1 molecular structure
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5-chloro-1,3-thiazol-2-aminium chloride

ChemBase ID: 302000
Molecular Formular: C3H3Cl2N2S
Molecular Mass: 170.04032
Monoisotopic Mass: 168.93939947
SMILES and InChIs

SMILES:
c1c(sc(n1)[NH2+])Cl.[Cl-]
Canonical SMILES:
Clc1cnc(s1)[NH2+].[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:302000 http://www.chembase.cn/molecule-302000.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-1,3-thiazol-2-aminium chloride
IUPAC Traditional name
5-chloro-1,3-thiazol-2-aminium chloride
Synonyms
5-Chlorothiazolamine 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

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar L05707 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

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 39.6356 cm3 Polarizability 11.642975 Å3
Polar Surface Area 40.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
168-172°C expand Show data source
RTECS
XJ1262800 expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
22 expand Show data source
Safety Statements
36 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301 expand Show data source
GHS Precautionary statements
P264-P270-P301+P310-P321-P405-P501A expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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