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36155-85-8 molecular structure
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5-chlorothiophene-3-carbaldehyde

ChemBase ID: 288832
Molecular Formular: C5H3ClOS
Molecular Mass: 146.59472
Monoisotopic Mass: 145.9593134
SMILES and InChIs

SMILES:
O=Cc1csc(Cl)c1
Canonical SMILES:
O=Cc1csc(c1)Cl
InChI:
InChI=1S/C5H3ClOS/c6-5-1-4(2-7)3-8-5/h1-3H
InChIKey:
BGOGYRKWKJGOHZ-UHFFFAOYSA-N

Cite this record

CBID:288832 http://www.chembase.cn/molecule-288832.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chlorothiophene-3-carbaldehyde
IUPAC Traditional name
5-chlorothiophene-3-carbaldehyde
Synonyms
5-Chlorothiophene-3-carbaldehyde
CAS Number
36155-85-8
MDL Number
MFCD17016115
PubChem SID
180674363
PubChem CID
12284899

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD212663 Please log in.
Data Source Data ID
PubChem 12284899 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2362309  LogD (pH = 7.4) 2.2362309 
Log P 2.2362309  Molar Refractivity 33.7125 cm3
Polarizability 12.904141 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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