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MFCD11632131 molecular structure
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pyridine-3-sulfonyl azide

ChemBase ID: 270116
Molecular Formular: C5H4N4O2S
Molecular Mass: 184.17586
Monoisotopic Mass: 184.00549639
SMILES and InChIs

SMILES:
S(=O)(=O)(N=[N+]=[N-])c1cnccc1
Canonical SMILES:
[N-]=[N+]=NS(=O)(=O)c1cccnc1
InChI:
InChI=1S/C5H4N4O2S/c6-8-9-12(10,11)5-2-1-3-7-4-5/h1-4H
InChIKey:
UQOLEKZLCRBTMR-UHFFFAOYSA-N

Cite this record

CBID:270116 http://www.chembase.cn/molecule-270116.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyridine-3-sulfonyl azide
IUPAC Traditional name
pyridine-3-sulfonyl azide
Synonyms
pyridine-3-sulfonyl azide
MDL Number
MFCD11632131
PubChem SID
164326026
PubChem CID
11816261

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-68832 external link Add to cart Please log in.
Data Source Data ID
PubChem 11816261 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.1075593  LogD (pH = 7.4) -0.10755691 
Log P 0.0064887665  Molar Refractivity 40.6161 cm3
Polarizability 15.983525 Å3 Polar Surface Area 76.46 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.357 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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