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MFCD20501922 molecular structure
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3-bromo-5-methylthiophene-2-sulfonyl chloride

ChemBase ID: 280156
Molecular Formular: C5H4BrClO2S2
Molecular Mass: 275.57106
Monoisotopic Mass: 273.85246105
SMILES and InChIs

SMILES:
c1(S(=O)(=O)Cl)c(cc(s1)C)Br
Canonical SMILES:
Cc1cc(c(s1)S(=O)(=O)Cl)Br
InChI:
InChI=1S/C5H4BrClO2S2/c1-3-2-4(6)5(10-3)11(7,8)9/h2H,1H3
InChIKey:
LBWGMJIULMWORY-UHFFFAOYSA-N

Cite this record

CBID:280156 http://www.chembase.cn/molecule-280156.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-bromo-5-methylthiophene-2-sulfonyl chloride
IUPAC Traditional name
3-bromo-5-methylthiophene-2-sulfonyl chloride
Synonyms
3-bromo-5-methylthiophene-2-sulfonyl chloride
MDL Number
MFCD20501922
PubChem SID
180665687
PubChem CID
54595349

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-87236 external link Add to cart Please log in.
Data Source Data ID
PubChem 54595349 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.2806003  LogD (pH = 7.4) 3.2806003 
Log P 3.2806003  Molar Refractivity 49.197 cm3
Polarizability 20.054173 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.22 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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