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180675624 molecular structure
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1H-imidazole-4-sulfonyl chloride hydrochloride

ChemBase ID: 290093
Molecular Formular: C3H4Cl2N2O2S
Molecular Mass: 203.04706
Monoisotopic Mass: 201.93705374
SMILES and InChIs

SMILES:
O=S(=O)(c1c[nH]cn1)Cl.Cl
Canonical SMILES:
ClS(=O)(=O)c1nc[nH]c1.Cl
InChI:
InChI=1S/C3H3ClN2O2S.ClH/c4-9(7,8)3-1-5-2-6-3;/h1-2H,(H,5,6);1H
InChIKey:
VCJZLWKWMAQMHG-UHFFFAOYSA-N

Cite this record

CBID:290093 http://www.chembase.cn/molecule-290093.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1H-imidazole-4-sulfonyl chloride hydrochloride
IUPAC Traditional name
1H-imidazole-4-sulfonyl chloride hydrochloride
Synonyms
1H-Imidazole-4-sulfonyl chloride hydrochloride
PubChem SID
180675624
PubChem CID
66570674

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD227630 Please log in.
Data Source Data ID
PubChem 66570674 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.804195  H Acceptors
H Donor LogD (pH = 5.5) 0.39344674 
LogD (pH = 7.4) 0.25645083  Log P 0.39553636 
Molar Refractivity 33.5205 cm3 Polarizability 13.423415 Å3
Polar Surface Area 62.82 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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