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162104057 molecular structure
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N-ethylsulfamic acid

ChemBase ID: 72218
Molecular Formular: C2H7NO3S
Molecular Mass: 125.14688
Monoisotopic Mass: 125.01466409
SMILES and InChIs

SMILES:
S(=O)(=O)(NCC)O
Canonical SMILES:
CCNS(=O)(=O)O
InChI:
InChI=1S/C2H7NO3S/c1-2-3-7(4,5)6/h3H,2H2,1H3,(H,4,5,6)
InChIKey:
SIVVHUQWDOGLJN-UHFFFAOYSA-N

Cite this record

CBID:72218 http://www.chembase.cn/molecule-72218.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethylsulfamic acid
IUPAC Traditional name
N-ethylsulfamic acid
Synonyms
Ethylsulfamic acid
PubChem SID
162104057
PubChem CID
244259

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 244259 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -1.2314909  H Acceptors
H Donor LogD (pH = 5.5) -3.2123237 
LogD (pH = 7.4) -3.2123425  Log P -0.83594394 
Molar Refractivity 24.9515 cm3 Polarizability 10.540809 Å3
Polar Surface Area 66.4 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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