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915920-34-2 molecular structure
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1-{3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl}ethan-1-one

ChemBase ID: 311110
Molecular Formular: C12H14N2OS
Molecular Mass: 234.31736
Monoisotopic Mass: 234.08268408
SMILES and InChIs

SMILES:
c12c(c(sc1nc(c(c2C)C)C)C(=O)C)N
Canonical SMILES:
CC(=O)c1sc2c(c1N)c(C)c(c(n2)C)C
InChI:
InChI=1S/C12H14N2OS/c1-5-6(2)9-10(13)11(8(4)15)16-12(9)14-7(5)3/h13H2,1-4H3
InChIKey:
XLPSSUGTLNJZDC-UHFFFAOYSA-N

Cite this record

CBID:311110 http://www.chembase.cn/molecule-311110.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-{3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl}ethan-1-one
IUPAC Traditional name
1-{3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl}ethanone
Synonyms
1-(3-amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl)ethanone
CAS Number
915920-34-2
MDL Number
MFCD00449771

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6682591  LogD (pH = 7.4) 2.668432 
Log P 2.6684341  Molar Refractivity 66.755 cm3
Polarizability 25.096912 Å3 Polar Surface Area 55.98 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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