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73540-75-7 molecular structure
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N,N-diethylthiophene-3-carboxamide

ChemBase ID: 288095
Molecular Formular: C9H13NOS
Molecular Mass: 183.27062
Monoisotopic Mass: 183.07178504
SMILES and InChIs

SMILES:
CCN(CC)C(=O)c1cscc1
Canonical SMILES:
CCN(C(=O)c1cscc1)CC
InChI:
InChI=1S/C9H13NOS/c1-3-10(4-2)9(11)8-5-6-12-7-8/h5-7H,3-4H2,1-2H3
InChIKey:
DMGZZYONMSPHOF-UHFFFAOYSA-N

Cite this record

CBID:288095 http://www.chembase.cn/molecule-288095.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-diethylthiophene-3-carboxamide
IUPAC Traditional name
N,N-diethylthiophene-3-carboxamide
Synonyms
N,N-Diethylthiophene-3-carboxamide
CAS Number
73540-75-7
MDL Number
MFCD11742083
PubChem SID
180673626
PubChem CID
11389776

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD166837 Please log in.
Data Source Data ID
PubChem 11389776 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7652961  LogD (pH = 7.4) 1.7652961 
Log P 1.7652961  Molar Refractivity 51.5328 cm3
Polarizability 19.198818 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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