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MFCD11632112 molecular structure
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dimethyl-1,2-oxazole-4-sulfonyl azide

ChemBase ID: 270048
Molecular Formular: C5H6N4O3S
Molecular Mass: 202.19114
Monoisotopic Mass: 202.01606107
SMILES and InChIs

SMILES:
S(=O)(=O)(c1c(onc1C)C)N=[N+]=[N-]
Canonical SMILES:
[N-]=[N+]=NS(=O)(=O)c1c(C)noc1C
InChI:
InChI=1S/C5H6N4O3S/c1-3-5(4(2)12-7-3)13(10,11)9-8-6/h1-2H3
InChIKey:
YVAWIJSJSPUJDH-UHFFFAOYSA-N

Cite this record

CBID:270048 http://www.chembase.cn/molecule-270048.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl-1,2-oxazole-4-sulfonyl azide
IUPAC Traditional name
dimethyl-1,2-oxazole-4-sulfonyl azide
Synonyms
3,5-dimethyl-1,2-oxazole-4-sulfonyl azide
MDL Number
MFCD11632112
PubChem SID
164325958
PubChem CID
12873207

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-68716 external link Add to cart Please log in.
Data Source Data ID
PubChem 12873207 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.19440928  LogD (pH = 7.4) -0.19440758 
Log P -0.08036192  Molar Refractivity 43.9562 cm3
Polarizability 16.55542 Å3 Polar Surface Area 89.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.371 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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