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MFCD00277526 molecular structure
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4-methoxythiophene-3-carbohydrazide

ChemBase ID: 74154
Molecular Formular: C6H8N2O2S
Molecular Mass: 172.20492
Monoisotopic Mass: 172.03064851
SMILES and InChIs

SMILES:
s1cc(OC)c(c1)C(=O)NN
Canonical SMILES:
COc1cscc1C(=O)NN
InChI:
InChI=1S/C6H8N2O2S/c1-10-5-3-11-2-4(5)6(9)8-7/h2-3H,7H2,1H3,(H,8,9)
InChIKey:
DVPYLNJHMAQLFU-UHFFFAOYSA-N

Cite this record

CBID:74154 http://www.chembase.cn/molecule-74154.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methoxythiophene-3-carbohydrazide
IUPAC Traditional name
4-methoxythiophene-3-carbohydrazide
Synonyms
4-Methoxythiophene-3-carbohydrazide
MDL Number
MFCD00277526
PubChem SID
162039073
PubChem CID
2736782

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 2736782 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.335061  H Acceptors
H Donor LogD (pH = 5.5) 0.14958595 
LogD (pH = 7.4) 0.15017316  Log P 0.1501811 
Molar Refractivity 43.1895 cm3 Polarizability 15.864812 Å3
Polar Surface Area 64.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
97-98°C expand Show data source
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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