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209592-91-6 molecular structure
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4-(thiophen-2-yl)benzene-1-sulfonyl chloride

ChemBase ID: 297302
Molecular Formular: C10H7ClO2S2
Molecular Mass: 258.74438
Monoisotopic Mass: 257.95759914
SMILES and InChIs

SMILES:
c1cc(sc1)c1ccc(cc1)S(=O)(=O)Cl
Canonical SMILES:
ClS(=O)(=O)c1ccc(cc1)c1cccs1
InChI:
InChI=1S/C10H7ClO2S2/c11-15(12,13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H
InChIKey:
IRDZCMUQNGEQEP-UHFFFAOYSA-N

Cite this record

CBID:297302 http://www.chembase.cn/molecule-297302.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(thiophen-2-yl)benzene-1-sulfonyl chloride
IUPAC Traditional name
4-(thiophen-2-yl)benzenesulfonyl chloride
Synonyms
4-(2-Thienyl)benzenesulfonyl chloride
4-(2-噻吩基)苯磺酰氯
CAS Number
209592-91-6
MDL Number
MFCD11655569
PubChem SID
180682833
PubChem CID
18387759

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 18387759 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3439221  LogD (pH = 7.4) 3.3439221 
Log P 3.3439221  Molar Refractivity 62.2783 cm3
Polarizability 25.955847 Å3 Polar Surface Area 34.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
107-108°C expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
UN3261 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
II expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Hazard statements
H314-H318 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
Purity
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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