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64964-17-6 molecular structure
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5-ethylthiophene-2-carbonyl chloride

ChemBase ID: 56784
Molecular Formular: C7H7ClOS
Molecular Mass: 174.64788
Monoisotopic Mass: 173.99061352
SMILES and InChIs

SMILES:
c1(sc(cc1)CC)C(=O)Cl
Canonical SMILES:
CCc1ccc(s1)C(=O)Cl
InChI:
InChI=1S/C7H7ClOS/c1-2-5-3-4-6(10-5)7(8)9/h3-4H,2H2,1H3
InChIKey:
WMPYANGIDNHXGD-UHFFFAOYSA-N

Cite this record

CBID:56784 http://www.chembase.cn/molecule-56784.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-ethylthiophene-2-carbonyl chloride
IUPAC Traditional name
5-ethylthiophene-2-carbonyl chloride
Synonyms
5-Ethylthiophene-2-carbonyl chloride
CAS Number
64964-17-6
MDL Number
MFCD00130093
PubChem SID
162061547
PubChem CID
12326225

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 12326225 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1674693  LogD (pH = 7.4) 3.1674693 
Log P 3.1674693  Molar Refractivity 43.6429 cm3
Polarizability 16.410292 Å3 Polar Surface Area 17.07 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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