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

ChemBase ID: 294190
Molecular Formular: C3H3Cl2N2S-
Molecular Mass: 170.04032
Monoisotopic Mass: 168.93939947
SMILES and InChIs

SMILES:
c1c(Cl)sc(n1)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/p-1
InChIKey:
GTMGFQYVLSQTKP-UHFFFAOYSA-M

Cite this record

CBID:294190 http://www.chembase.cn/molecule-294190.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hydrogen 5-chloro-1,3-thiazol-2-amine chloride
IUPAC Traditional name
hydrogen thiazole, 2-amino-5-chloro- chloride
Synonyms
5-Chlorothiazol-2-amine hydrochloride
CAS Number
55506-37-1
MDL Number
MFCD00039006
PubChem SID
180679721
PubChem CID
73994952

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD70426 Please log in.
Data Source Data ID
PubChem 73994952 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

Product Information Bioassay(PubChem)
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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