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936940-69-1 molecular structure
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(4-ethyl-1,3-thiazol-2-yl)methanamine

ChemBase ID: 307242
Molecular Formular: C6H10N2S
Molecular Mass: 142.222
Monoisotopic Mass: 142.05646933
SMILES and InChIs

SMILES:
n1c(scc1CC)CN
Canonical SMILES:
CCc1csc(n1)CN
InChI:
InChI=1S/C6H10N2S/c1-2-5-4-9-6(3-7)8-5/h4H,2-3,7H2,1H3
InChIKey:
SQRZCRXLKZMSIU-UHFFFAOYSA-N

Cite this record

CBID:307242 http://www.chembase.cn/molecule-307242.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-ethyl-1,3-thiazol-2-yl)methanamine
IUPAC Traditional name
(4-ethyl-1,3-thiazol-2-yl)methanamine
Synonyms
1-(4-ethyl-1,3-thiazol-2-yl)methanamine
CAS Number
936940-69-1
MDL Number
MFCD09891357

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 4012852 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.7258891  LogD (pH = 7.4) -0.03181168 
Log P 0.6628795  Molar Refractivity 38.2852 cm3
Polarizability 15.071529 Å3 Polar Surface Area 38.91 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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