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438225-57-1 molecular structure
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5-ethylthiophene-3-carbohydrazide

ChemBase ID: 27283
Molecular Formular: C7H10N2OS
Molecular Mass: 170.2321
Monoisotopic Mass: 170.05138395
SMILES and InChIs

SMILES:
c1(cc(sc1)CC)C(=O)NN
Canonical SMILES:
NNC(=O)c1csc(c1)CC
InChI:
InChI=1S/C7H10N2OS/c1-2-6-3-5(4-11-6)7(10)9-8/h3-4H,2,8H2,1H3,(H,9,10)
InChIKey:
UWIQQMWVFFEKHC-UHFFFAOYSA-N

Cite this record

CBID:27283 http://www.chembase.cn/molecule-27283.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-ethylthiophene-3-carbohydrazide
IUPAC Traditional name
5-ethylthiophene-3-carbohydrazide
Synonyms
5-Ethylthiophene-3-carbohydrazide
CAS Number
438225-57-1
MDL Number
MFCD03419848
PubChem SID
160990590
PubChem CID
3856024

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3856024 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.529376  H Acceptors
H Donor LogD (pH = 5.5) 1.3975137 
LogD (pH = 7.4) 1.3982722  Log P 1.3982818 
Molar Refractivity 46.3066 cm3 Polarizability 16.88935 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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