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MFCD08056318 molecular structure
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2,5-dimethylthiophene-3-carbonyl chloride

ChemBase ID: 90973
Molecular Formular: C7H7ClOS
Molecular Mass: 174.64788
Monoisotopic Mass: 173.99061352
SMILES and InChIs

SMILES:
s1c(cc(c1C)C(=O)Cl)C
Canonical SMILES:
Cc1sc(c(c1)C(=O)Cl)C
InChI:
InChI=1S/C7H7ClOS/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3
InChIKey:
QWQVQKIVNYYIFN-UHFFFAOYSA-N

Cite this record

CBID:90973 http://www.chembase.cn/molecule-90973.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,5-dimethylthiophene-3-carbonyl chloride
IUPAC Traditional name
2,5-dimethylthiophene-3-carbonyl chloride
Synonyms
2,5-Dimethylthiophene-3-carbonyl chloride 95%
MDL Number
MFCD08056318
PubChem SID
162077677
PubChem CID
21510484

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR6371 external link Add to cart Please log in.
Data Source Data ID
PubChem 21510484 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.236322  LogD (pH = 7.4) 3.236322 
Log P 3.236322  Molar Refractivity 44.3911 cm3
Polarizability 16.33056 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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