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2192-06-5 molecular structure
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2-amino-4,5-dihydro-1,3-thiazol-4-one hydrochloride

ChemBase ID: 64197
Molecular Formular: C3H5ClN2OS
Molecular Mass: 152.6026
Monoisotopic Mass: 151.98111147
SMILES and InChIs

SMILES:
N1=C(SCC1=O)N.Cl
Canonical SMILES:
O=C1CSC(=N1)N.Cl
InChI:
InChI=1S/C3H4N2OS.ClH/c4-3-5-2(6)1-7-3;/h1H2,(H2,4,5,6);1H
InChIKey:
YBDFGIGPQKUYGW-UHFFFAOYSA-N

Cite this record

CBID:64197 http://www.chembase.cn/molecule-64197.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-4,5-dihydro-1,3-thiazol-4-one hydrochloride
IUPAC Traditional name
4(5H)-thiazolone, 2-amino- hydrochloride
Synonyms
2-Amino-4,5-dihydro-4-oxo-1,3-thiazole hydrochloride
2-Amino-1,3-thiazol-4(5H)-one hydrochloride
2-Aminothiazolinone hydrochloride
2-amino-4,5-dihydro-1,3-thiazol-4-one hydrochloride
2-AMinothiazol-4(5H)-one hydrochloride
CAS Number
2192-06-5
MDL Number
MFCD00277945
PubChem SID
162029936
PubChem CID
2782348

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.429032  H Acceptors
H Donor LogD (pH = 5.5) -0.99732894 
LogD (pH = 7.4) -2.5834336  Log P -0.66003937 
Molar Refractivity 27.5188 cm3 Polarizability 10.620992 Å3
Polar Surface Area 55.45 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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