4,4'-sulfonyldiphenol
fo-851b5c9767df56e1
Identity
- Type
- Neutral molecule
- CAS
- 80-09-1
- EC
- 201-250-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
29- 1,1'-Sulfonylbis(4-hydroxybenzene)
- 1,1′-Sulfonylbis[4-hydroxybenzene]
- 4,4'-Dihydroxydiphenyl sulfone
- 4,4′-Bisphenol S
- 4,4′-Dihydroxydiphenyl sulfone
- 4,4′-Sulfonylbis[phenol]
- 4,4′-Sulfonyldiphenol
- 4-(4-Hydroxyphenyl) sulfonylphenol
- 4-(4-Hydroxyphenylsulfonyl)phenol
- 4-Hydroxyphenyl sulfone
- Bis(4-hydroxyphenyl) sulfone
- Bis(p-hydroxyphenyl) sulfone
- Bisphenol S
- Bisphenol S sulfonic acid ester
- BPS-FF 1
- BPS-H
- BPS-N
- BPS-P
- BS-PN
- DHDPhS
- Diphone A
- Diphone C
- Diphone D
- Dynamar FC 5157E
- Dynamar FC 5166
- HC-DS
- p,p′-Dihydroxydiphenyl sulfone
- Phenol, 4,4′-sulfonylbis-
- Phenol, 4,4′-sulfonyldi-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | VPWNQTHUCYMVMZ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H |
| IUPAC name chemrof:IUPAC_name | 4,4'-sulfonyldiphenol |
| Molecular formula chemrof:molecular_formula | C12H10O4S |
| Molecular mass chemrof:molecular_mass | 250.275 |
| Monoisotopic mass chemrof:monoisotopic_mass | 250.02998 |
| SMILES string chemrof:smiles_string | O=S(=O)(c1ccc(O)cc1)c1ccc(O)cc1 |
Known URLs
31Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=25641-61-6 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=59790-00-0 | enrich_references.pubchem_identifier_url |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=80-09-1 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34372 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.001.137 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.042.857 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3022409 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=683541 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8712 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL384441 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3OX4RR782R | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0240712 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.509K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C14216 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C14216 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67524 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/6626 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018294 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11707948 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22591511 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23806087 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/26822215 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/26867649 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/26994432 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/27003841 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/27213244 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/27241191 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/27273607 | enrich_references.chebi_xrefs |
| reaxys | reaxys:2052954 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q418379 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Bisphenol_S | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| d104b2bc-32c8-4ee4-87bd-21c020e1c3cf | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 3ce5757d-543e-42ff-95f8-a6073df6ca40 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| d992536d-ee3f-430f-9deb-2c55abf9ef68 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 72682678-7d5d-437d-a3cc-d74089d9b858 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 1e18b465-1533-4919-a5f4-8f05a745d36a | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| ece64cc2-0ed4-414f-a2a6-ca351f56d012 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 513bb540-2e65-45a9-afa1-4b4b496dd009 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 90d3dd1d-1e6f-4e4a-b519-78bf04c8d83f | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 937e2e51-5bbf-4077-ba09-e2bf701753ea | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 08cb2d86-f145-4c49-b371-4c1ea598d08c | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| bef9ab32-fbcc-4a70-90ce-489d1edb4698 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 57530d15-aae9-40e0-9b72-e6b1ad8310a9 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 8ddb211e-5e53-4cb1-8198-dcea6c2c14b5 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
{
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{
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{
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{
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{
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{
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{
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{
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{
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{
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{
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{
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{
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{
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{
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},
{
"@value": "Phenol, 4,4′-sulfonyldi-",
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works