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2,2-bis(methylthio)propane

fo-da52da4773ab165a

Identity

Type
Neutral molecule
CAS
6156-18-9
EC
478-900-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 2,2-bis(methylthio)propane

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BBYNYNMPOUQKKS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H12S2/c1-5(2,6-3)7-4/h1-4H3
IUPAC name chemrof:IUPAC_name 2,2-bis(methylthio)propane
Molecular formula chemrof:molecular_formula C5H12S2
Molecular mass chemrof:molecular_mass 136.285
Monoisotopic mass chemrof:monoisotopic_mass 136.038042
SMILES string chemrof:smiles_string CSC(C)(C)SC

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=6156-18-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.105.201 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10977138 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J101.215K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/525428 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126601258 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
11a9d632-7489-45e1-95c9-11db0b243086 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0cb7d28d-7ca1-4884-bb79-695f01b1aef6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ac9731d2-8da3-4032-8c1b-fcee145a888c Environmental → Air → Indoor EF 3.1 kg 4
c97c0164-2089-48bb-9f7d-12d1b0a7047e Environmental → Air → Long-term EF 3.1 kg 0
c373203f-4bc0-48ff-b48c-81889a3b3664 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
5ac21ba3-5249-4deb-8e63-40e16fcd2d44 Environmental → Air → Unknown EF 3.1 kg 4
26b59061-02ae-4e97-bb76-62af51c4a6a9 Environmental → Ground → Agricultural EF 3.1 kg 4
edd7ee7f-50b6-45b4-b5a3-a86575453c12 Environmental → Ground → Non-agricultural EF 3.1 kg 4
8c93c088-b560-4f74-bbbc-65b012adfcb0 Environmental → Ground → Unknown EF 3.1 kg 4
1d50cd1a-c178-4508-bf12-73d0aa45952d Environmental → Water → Long-term EF 3.1 kg 0
d64364d7-eac7-4594-a6e8-d38e7e86945c Environmental → Water → Ocean EF 3.1 kg 4
9dd99b47-8e23-4c1f-b818-23f0de79e0b0 Environmental → Water → Surface water EF 3.1 kg 4
1608e1f2-45a5-4c50-bb40-4ecc320c17e4 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-da52da4773ab165a",
  "prefLabel": [
    {
      "@value": "2,2-bis(methylthio)propane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,2-Bis(methylsulfanyl)propane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3,3-Dimethyl-2,4-dithiapentane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetone, dimethyl mercaptole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Propane, 2,2-bis(methylthio)-",
      "@language": "en",
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      "attested_by": {
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      "attested_by": {
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      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "rdfs:label": "Monoisotopic mass",
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      "provenance": [
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      ],
      "attested_by": {
        "136.038042": [
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J101.215K",
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        "prov:wasDerivedFrom": "pubchem.identifiers[6156-18-9]"
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  ],
  "created_from": {
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    "seed_uuid": "0cb7d28d-7ca1-4884-bb79-695f01b1aef6",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  },
  "classifications": {
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  "origin_qualifier": null,
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  "@type": [
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  ]
}

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