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915921-97-0 molecular structure
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4-(1-phenoxyethyl)-1,3-thiazol-2-amine

ChemBase ID: 307198
Molecular Formular: C11H12N2OS
Molecular Mass: 220.29078
Monoisotopic Mass: 220.06703401
SMILES and InChIs

SMILES:
n1c(csc1N)C(Oc1ccccc1)C
Canonical SMILES:
Nc1scc(n1)C(Oc1ccccc1)C
InChI:
InChI=1S/C11H12N2OS/c1-8(10-7-15-11(12)13-10)14-9-5-3-2-4-6-9/h2-8H,1H3,(H2,12,13)
InChIKey:
IOYUQHJSBCNHPU-UHFFFAOYSA-N

Cite this record

CBID:307198 http://www.chembase.cn/molecule-307198.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(1-phenoxyethyl)-1,3-thiazol-2-amine
IUPAC Traditional name
4-(1-phenoxyethyl)-1,3-thiazol-2-amine
Synonyms
4-(1-phenoxyethyl)-1,3-thiazol-2-amine
CAS Number
915921-97-0
MDL Number
MFCD08691552

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6895723  LogD (pH = 7.4) 2.7042105 
Log P 2.7044005  Molar Refractivity 60.4876 cm3
Polarizability 23.187353 Å3 Polar Surface Area 48.14 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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