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2,3-bis((2-mercaptoethyl)thio)-1-propanethiol

fo-7f4152c84d5e5e09

Identity

Type
Neutral molecule
CAS
131538-00-6
EC
411-290-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,3-bis((2-mercaptoethyl)thio)-1-propanethiol

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CEUQYYYUSUCFKP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H16S5/c8-1-3-11-6-7(5-10)12-4-2-9/h7-10H,1-6H2
IUPAC name chemrof:IUPAC_name 2,3-bis((2-mercaptoethyl)thio)-1-propanethiol
Molecular formula chemrof:molecular_formula C7H16S5
Molecular mass chemrof:molecular_mass 260.54
Monoisotopic mass chemrof:monoisotopic_mass 259.985556
SMILES string chemrof:smiles_string SCCSCC(CS)SCCS

Known URLs

6

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=131538-00-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.101.076 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20888943 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J446.534B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/21900456 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72488564 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
69204909-2756-4255-bc24-8d3ee50634ad Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5cc0cc2a-2304-4ee3-b5be-b3cb281649c5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1d3c8286-f071-4735-92d5-260377ae0e35 Environmental → Air → Indoor EF 3.1 kg 2
48e5b891-e39b-4d43-8e09-2391a4e4546d Environmental → Air → Long-term EF 3.1 kg 0
fdfe4259-4132-4144-9466-c94cb1c31cec Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
35a22416-68cf-4f10-b740-d0555a8e3173 Environmental → Air → Unknown EF 3.1 kg 2
b77604a2-8f6d-4938-a1d5-85e3da9c5ef5 Environmental → Ground → Agricultural EF 3.1 kg 2
a398b2e4-037f-417d-a6ef-4d7fb1c42aaf Environmental → Ground → Non-agricultural EF 3.1 kg 2
74890e00-fbe1-41a7-94c7-76809e310082 Environmental → Ground → Unknown EF 3.1 kg 2
ef50035d-1da4-466e-b602-9cff7cefd7d7 Environmental → Water → Long-term EF 3.1 kg 0
f2b830dc-3dbb-497a-ac64-86a751639ee3 Environmental → Water → Ocean EF 3.1 kg 2
7d50c051-1c62-474e-9f4b-bd624b8d16a8 Environmental → Water → Surface water EF 3.1 kg 2
f2b9c34d-2304-4066-85bc-d31bc0721238 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 
{
  "flow_object_id": "fo-7f4152c84d5e5e09",
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  ],
  "altLabel": [
    {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Propanethiol, 2,3-bis[(2-mercaptoethyl)thio]-",
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}

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