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148017-28-1 molecular structure
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tert-butyl N-sulfamoylcarbamate

ChemBase ID: 293807
Molecular Formular: C5H12N2O4S
Molecular Mass: 196.22478
Monoisotopic Mass: 196.05177787
SMILES and InChIs

SMILES:
CC(C)(C)OC(=O)NS(=O)(=O)N
Canonical SMILES:
O=C(NS(=O)(=O)N)OC(C)(C)C
InChI:
InChI=1S/C5H12N2O4S/c1-5(2,3)11-4(8)7-12(6,9)10/h1-3H3,(H,7,8)(H2,6,9,10)
InChIKey:
WPCQASPMIALUEE-UHFFFAOYSA-N

Cite this record

CBID:293807 http://www.chembase.cn/molecule-293807.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl N-sulfamoylcarbamate
IUPAC Traditional name
tert-butyl N-sulfamoylcarbamate
Synonyms
tert-Butyl sulfamoylcarbamate
CAS Number
148017-28-1
MDL Number
MFCD11616268
PubChem SID
180679338
PubChem CID
10726542

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10726542 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.8868992  H Acceptors
H Donor LogD (pH = 5.5) -1.2642634 
LogD (pH = 7.4) -1.2723521  Log P -0.32944483 
Molar Refractivity 41.8367 cm3 Polarizability 17.367788 Å3
Polar Surface Area 98.49 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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