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3-[(3-sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate

fo-eb01fcd11ef7a179

Identity

Type
Neutral molecule
CAS
7575-23-7
EC
231-472-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3-[(3-sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate

Alternative labels

46

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JOBBTVPTPXRUBP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H28O8S4/c18-13(1-5-26)22-9-17(10-23-14(19)2-6-27,11-24-15(20)3-7-28)12-25-16(21)4-8-29/h26-29H,1-12H2
IUPAC name chemrof:IUPAC_name 3-[(3-sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate
Molecular formula chemrof:molecular_formula C17H28O8S4
Molecular mass chemrof:molecular_mass 488.671
Monoisotopic mass chemrof:monoisotopic_mass 488.066702
SMILES string chemrof:smiles_string O=C(CCS)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS

Known URLs

9

Where 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=7575-23-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.028.612 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1044728 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183062 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6M5413VH6N enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.159J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/82056 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27265140 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pentaerythritol_tetrakis(3-mercaptopropionate) enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6a52ef7a-b4c9-4cc9-a548-dfe0b87c5e7a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c102e407-744f-4d97-a4ca-78b4cfb343a2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
750aa305-68cc-488e-9314-27ef5e820827 Environmental → Air → Indoor EF 3.1 kg 2
0a3ef074-94c8-4fdf-977b-f43e67f81376 Environmental → Air → Long-term EF 3.1 kg 0
51a89656-8916-4676-a69e-3db1f34a397f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9e36fce7-a420-40b9-b2b4-706500713891 Environmental → Air → Unknown EF 3.1 kg 2
bdf9670f-5426-4939-a166-d107e4133fba Environmental → Ground → Agricultural EF 3.1 kg 2
d5d9e123-8997-4873-b5c3-14b3aeac809b Environmental → Ground → Non-agricultural EF 3.1 kg 2
59ae6740-2ad3-4d82-ab6f-08e53f527f8e Environmental → Ground → Unknown EF 3.1 kg 2
29622d48-8093-4d33-a16f-b9718f0684c1 Environmental → Water → Long-term EF 3.1 kg 0
374f9a59-a575-4895-a8f5-0e5246f74170 Environmental → Water → Ocean EF 3.1 kg 2
5f025525-0c6a-448b-8712-149cac0ee470 Environmental → Water → Surface water EF 3.1 kg 2
301d0833-5990-412b-ad65-7d7858f5c21f Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
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    },
    {
      "@value": "Pentaerythritol tetra(β-thiopropionate)",
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    {
      "@value": "Pentaerythritol tetra-β-mercaptopropionate",
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    {
      "@value": "Pentaerythritol tetrakis(3-mercaptopropanoate)",
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    {
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    {
      "@value": "Pentaerythritol, tetrakis(3-mercaptopropionate)",
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    },
    {
      "@value": "Pentaerythrityl tetrakis(β-mercaptopropionate)",
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    {
      "@value": "PET 3MP",
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    {
      "@value": "PETMP",
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    },
    {
      "@value": "PETP (polythiol)",
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    },
    {
      "@value": "Propanoic acid, 3-mercapto-, 1,1′-[2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl] ester",
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    {
      "@value": "Propanoic acid, 3-mercapto-, 2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl ester",
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}

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