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22745-19-3 molecular structure
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(E)-(ethyl N-(benzenesulfonyl)carboximidate)

ChemBase ID: 252134
Molecular Formular: C9H11NO3S
Molecular Mass: 213.25354
Monoisotopic Mass: 213.04596422
SMILES and InChIs

SMILES:
S(=O)(=O)(/N=C/OCC)c1ccccc1
Canonical SMILES:
CCO/C=N/S(=O)(=O)c1ccccc1
InChI:
InChI=1S/C9H11NO3S/c1-2-13-8-10-14(11,12)9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+
InChIKey:
BDKZTFIMIAMXCF-CSKARUKUSA-N

Cite this record

CBID:252134 http://www.chembase.cn/molecule-252134.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(E)-(ethyl N-(benzenesulfonyl)carboximidate)
IUPAC Traditional name
(E)-(ethyl N-(benzenesulfonyl)carboximidate)
Synonyms
ethyl phenylsulfonylimidoformate
CAS Number
22745-19-3
MDL Number
MFCD08239619
PubChem SID
164308044
PubChem CID
12418996

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-24130 external link Add to cart Please log in.
Data Source Data ID
PubChem 12418996 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3563223  LogD (pH = 7.4) 1.3563223 
Log P 1.3563223  Molar Refractivity 53.1128 cm3
Polarizability 21.432257 Å3 Polar Surface Area 55.73 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.026 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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