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623143-43-1 molecular structure
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(1R)-1-(1,3-thiazol-2-yl)ethan-1-amine

ChemBase ID: 813722
Molecular Formular: C5H8N2S
Molecular Mass: 128.19542
Monoisotopic Mass: 128.04081927
SMILES and InChIs

SMILES:
[C@H](C)(N)c1sccn1
Canonical SMILES:
C[C@H](c1nccs1)N
InChI:
InChI=1S/C5H8N2S/c1-4(6)5-7-2-3-8-5/h2-4H,6H2,1H3/t4-/m1/s1
InChIKey:
DUOLTCNKKZZNIC-SCSAIBSYSA-N

Cite this record

CBID:813722 http://www.chembase.cn/molecule-813722.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35801 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35801 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
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
Polarizability 13.317536 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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