Ethyl 2-((phenylsulfonyl)methyl)acrylate
PubChem CID
361163
Structure
Molecular Formula
Synonyms
- 89295-32-9
- Ethyl 2-((phenylsulfonyl)methyl)acrylate
- ETHYL-(2-PHENYLSULFOMETHYL)-ACRYLATE
- ethyl 2-(benzenesulfonylmethyl)prop-2-enoate
- NSC623994
Molecular Weight
254.30 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2024-12-07
Chemical Structure Depiction
ethyl 2-(benzenesulfonylmethyl)prop-2-enoate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C12H14O4S/c1-3-16-12(13)10(2)9-17(14,15)11-7-5-4-6-8-11/h4-8H,2-3,9H2,1H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
IPHGVOCQEKWURA-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCOC(=O)C(=C)CS(=O)(=O)C1=CC=CC=C1
Computed by OEChem 2.3.0 (PubChem release 2021.10.14)
C12H14O4S
Computed by PubChem 2.2 (PubChem release 2021.10.14)
89295-32-9
- 89295-32-9
- Ethyl 2-((phenylsulfonyl)methyl)acrylate
- ETHYL-(2-PHENYLSULFOMETHYL)-ACRYLATE
- ethyl 2-(benzenesulfonylmethyl)prop-2-enoate
- NSC623994
- SCHEMBL5080063
- CHEMBL1974166
- 2-carbethoxyallyl phenyl sulphone
- IPHGVOCQEKWURA-UHFFFAOYSA-N
- NSC-623994
- NCI60_007202
- ethyl alpha-(benzenesulphonylmethyl)acrylate
- EN300-22223413
- ETHYL 2-[(BENZENESULFONYL)METHYL]PROP-2-ENOATE
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
254.30 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
1.8
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
254.06128010 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
254.06128010 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
68.8Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
17
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
372
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=IPHGVOCQEKWURA-UHFFFAOYSA-N
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- European Chemicals Agency (ECHA)LICENSEUse of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: "Source: European Chemicals Agency, http://echa.europa.eu/". Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.https://echa.europa.eu/web/guest/legal-noticeethyl 2-[(benzenesulfonyl)methyl]prop-2-enoatehttps://echa.europa.eu/substance-information/-/substanceinfo/100.348.911
- Japan Chemical Substance Dictionary (Nikkaji)
- Springer Nature
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 388989667https://pubchem.ncbi.nlm.nih.gov/substance/388989667
CONTENTS