2,2'-oxybis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-disulfide

1,3,2-Dioxaphosphorinane, 2,2′-oxybis[5,5-dimethyl-, 2,2′-disulfide
1,3-Propanediol, 2,2-dimethyl-, cyclic O,O-ester with thiopyrophosphoric acid ([(HO)2PS]2O)
1,3-Propanediol, 2,2-dimethyl-, cyclic O,O:O′,O′-diester with thiopyrophosphoric acid ([(HO)2PS]2O)
2,2′-Dioxa(5,5-dimethyl-1,3,2-dioxaphosphorinane 2,2′-disulfide)
2,2′-Oxybis[5,5-dimethyl-1,3,2-dioxaphosphorinane 2,2′-disulfide]
Bis(neopentyl glycol) dithiopyrophosphate
Thiopyrophosphoric acid ([(HO)2PS]2O), cyclic O,O:O′,O′-bis(2,2-dimethyltrimethylene) ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	GAUFKBQSTGCCOC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C10H20O5P2S2/c1-9(2)5-11-16(18,12-6-9)15-17(19)13-7-10(3,4)8-14-17/h5-8H2,1-4H3
IUPAC name chemrof:IUPAC_name	2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane, 2-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphorinan-2-yl)oxy]-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphorinane, 2-[(5,5-dimethyl-2-thioxo-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-5,5-dimethyl-2-thioxo-1,3,2lambda5-dioxaphosphinane, 2-[(5,5-dimethyl-2-thioxo-1,3,2lambda5-dioxaphosphorinan-2-yl)oxy]-5,5-dimethyl-2-thioxo-1,3,2lambda5-dioxaphosphorinane
Molecular formula chemrof:molecular_formula	C10H20O5P2S2
Molecular mass chemrof:molecular_mass	346.347
Monoisotopic mass chemrof:monoisotopic_mass	346.022739
SMILES string chemrof:smiles_string	CC1(COP(=S)(OC1)OP2(=S)OCC(CO2)(C)C)C

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=4090-51-1	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.021.663	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID4063290	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NZ339B63J4	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.543.870J	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J93.720G	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/77714	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q81990634	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
d8fab79c-41b7-4b73-b2fd-1df17bda227d	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
82fd69fb-ed47-41f2-83bd-c3d607bcbbec	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
c5a8230d-bc5d-4be0-888d-65cad97e0d45	Environmental → Air → Indoor	EF 3.1	kg	4
10c10e5a-fd38-4502-a861-37ff183d387c	Environmental → Air → Long-term	EF 3.1	kg	0
dc803a66-7599-42ee-8575-c9cca30a92cd	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
525d0358-db68-4253-8b91-1fb08a665eb7	Environmental → Air → Unknown	EF 3.1	kg	4
b5ea41c3-0e95-4aa2-a859-ac7aa1ff5f01	Environmental → Ground → Agricultural	EF 3.1	kg	4
b37cf766-b8ae-41d7-aab9-62a5ddcf6e40	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
a5821745-4004-43c2-be7d-b8f1778644f6	Environmental → Ground → Unknown	EF 3.1	kg	4
5c651cdf-2876-4d23-bb77-aed400cb8154	Environmental → Water → Long-term	EF 3.1	kg	0
cf9a8079-1513-44e6-9594-850ff43432a2	Environmental → Water → Ocean	EF 3.1	kg	4
0e6cfb61-7188-4fa9-b462-ad6c8841cc3d	Environmental → Water → Surface water	EF 3.1	kg	4
ed1985aa-2ebd-4fb0-b7eb-aba628657afd	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

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          "@id": "https://commonchemistry.cas.org/detail?cas_rn=4090-51-1"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "223-829-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=223-829-1"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

2,2'-oxybis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-disulfide

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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