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13053-81-1 molecular structure
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N-(thiophen-2-yl)acetamide

ChemBase ID: 276508
Molecular Formular: C6H7NOS
Molecular Mass: 141.19088
Monoisotopic Mass: 141.02483485
SMILES and InChIs

SMILES:
c1(NC(=O)C)sccc1
Canonical SMILES:
CC(=O)Nc1cccs1
InChI:
InChI=1S/C6H7NOS/c1-5(8)7-6-3-2-4-9-6/h2-4H,1H3,(H,7,8)
InChIKey:
FSATURPVOMZWBY-UHFFFAOYSA-N

Cite this record

CBID:276508 http://www.chembase.cn/molecule-276508.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(thiophen-2-yl)acetamide
IUPAC Traditional name
2-acetamidothiophene
Synonyms
N-(thiophen-2-yl)acetamide
2-(Acetamido)thiophene
CAS Number
13053-81-1
MDL Number
MFCD00090379
PubChem SID
164332418
PubChem CID
83087

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 83087 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.207219  H Acceptors
H Donor LogD (pH = 5.5) 1.1573933 
LogD (pH = 7.4) 1.1573298  Log P 1.157394 
Molar Refractivity 37.1867 cm3 Polarizability 13.896115 Å3
Polar Surface Area 29.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
146 - 148°C expand Show data source
Hydrophobicity(logP)
0.991 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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