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69202-24-0 molecular structure
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5-(4-methoxyphenyl)thiophene-2-carbohydrazide

ChemBase ID: 40683
Molecular Formular: C12H12N2O2S
Molecular Mass: 248.30088
Monoisotopic Mass: 248.06194863
SMILES and InChIs

SMILES:
s1c(C(=O)NN)ccc1c1ccc(cc1)OC
Canonical SMILES:
COc1ccc(cc1)c1ccc(s1)C(=O)NN
InChI:
InChI=1S/C12H12N2O2S/c1-16-9-4-2-8(3-5-9)10-6-7-11(17-10)12(15)14-13/h2-7H,13H2,1H3,(H,14,15)
InChIKey:
RQNCKVGCHJREPC-UHFFFAOYSA-N

Cite this record

CBID:40683 http://www.chembase.cn/molecule-40683.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(4-methoxyphenyl)thiophene-2-carbohydrazide
IUPAC Traditional name
5-(4-methoxyphenyl)thiophene-2-carbohydrazide
Synonyms
5-(4-Methoxyphenyl)thiophene-2-carbohydrazide
5-(4-Methoxyphenyl)-2-thiophenecarbohydrazide
CAS Number
69202-24-0
MDL Number
MFCD06200930
PubChem SID
162045446
PubChem CID
2763584

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2763584 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.958151  H Acceptors
H Donor LogD (pH = 5.5) 1.9259276 
LogD (pH = 7.4) 1.926544  Log P 1.9265519 
Molar Refractivity 67.8939 cm3 Polarizability 26.71907 Å3
Polar Surface Area 64.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
195 - 198 °C expand Show data source
195-198°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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