Home > Compound List > Compound details
623143-43-0 molecular structure
click picture or here to close

(1S)-1-(1,3-thiazol-2-yl)ethan-1-amine hydrochloride

ChemBase ID: 799212
Molecular Formular: C5H9ClN2S
Molecular Mass: 164.65636
Monoisotopic Mass: 164.01749698
SMILES and InChIs

SMILES:
Cl.[C@@H](C)(N)c1sccn1
Canonical SMILES:
C[C@@H](c1nccs1)N.Cl
InChI:
InChI=1S/C5H8N2S.ClH/c1-4(6)5-7-2-3-8-5;/h2-4H,6H2,1H3;1H/t4-;/m0./s1
InChIKey:
KLQZMXLICFMMGL-WCCKRBBISA-N

Cite this record

CBID:799212 http://www.chembase.cn/molecule-799212.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S)-1-(1,3-thiazol-2-yl)ethan-1-amine hydrochloride
IUPAC Traditional name
(1S)-1-(1,3-thiazol-2-yl)ethanamine hydrochloride
Synonyms
(S)-1-(thiazol-2-yl)ethanamine hydrochloride
CAS Number
623143-43-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O13515 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O13515 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Polarizability 13.317536 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) -2.0384672  LogD (pH = 7.4) -0.3476002 
Log P 0.39973772  Molar Refractivity 33.5607 cm3

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle