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51175-71-4 molecular structure
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thiophene-3-sulfonyl chloride

ChemBase ID: 54340
Molecular Formular: C4H3ClO2S2
Molecular Mass: 182.64842
Monoisotopic Mass: 181.92629902
SMILES and InChIs

SMILES:
s1cc(cc1)S(=O)(=O)Cl
Canonical SMILES:
ClS(=O)(=O)c1cscc1
InChI:
InChI=1S/C4H3ClO2S2/c5-9(6,7)4-1-2-8-3-4/h1-3H
InChIKey:
YSPWSQNKRBSICH-UHFFFAOYSA-N

Cite this record

CBID:54340 http://www.chembase.cn/molecule-54340.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
thiophene-3-sulfonyl chloride
IUPAC Traditional name
thiophene-3-sulfonyl chloride
Synonyms
Thiophene-3-sulfonyl chloride
3-thiophenesulfonyl chloride
3-(Chlorosulphonyl)thiophene
Thiophene-3-sulphonyl chloride
CAS Number
51175-71-4
MDL Number
MFCD02682011
PubChem SID
162059103
PubChem CID
2776378

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6999907  LogD (pH = 7.4) 1.6999907 
Log P 1.6999907  Molar Refractivity 37.358 cm3
Polarizability 15.223689 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
44-46°C expand Show data source
Boiling Point
101-103°C expand Show data source
Hydrophobicity(logP)
-0.184 expand Show data source
Storage Warning
Corrosive/Store under Nitrogen expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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