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42212-83-9 molecular structure
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5-chloro-4-methyl-1,3-thiazol-2-amine hydrochloride

ChemBase ID: 90258
Molecular Formular: C4H6Cl2N2S
Molecular Mass: 185.07484
Monoisotopic Mass: 183.96287456
SMILES and InChIs

SMILES:
n1c(sc(c1C)Cl)N.Cl
Canonical SMILES:
Nc1nc(c(s1)Cl)C.Cl
InChI:
InChI=1S/C4H5ClN2S.ClH/c1-2-3(5)8-4(6)7-2;/h1H3,(H2,6,7);1H
InChIKey:
BREOHTBTAOCPKN-UHFFFAOYSA-N

Cite this record

CBID:90258 http://www.chembase.cn/molecule-90258.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloro-4-methyl-1,3-thiazol-2-amine hydrochloride
IUPAC Traditional name
5-chloro-4-methyl-1,3-thiazol-2-amine hydrochloride
Synonyms
2-Amino-5-chloro-4-methyl-1,3-thiazole hydrochloride
CAS Number
42212-83-9
PubChem SID
162077092
PubChem CID
44119598

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR59817 external link Add to cart Please log in.
Data Source Data ID
PubChem 44119598 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.594677  H Acceptors
H Donor LogD (pH = 5.5) 1.380944 
LogD (pH = 7.4) 1.3886739  Log P 1.3887734 
Molar Refractivity 33.9963 cm3 Polarizability 13.035328 Å3
Polar Surface Area 38.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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