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Sodium 3-sulfanylpropane-1-sulfonate

fo-1f96e593b3f85e57

Identity

Type
Chemical salt
CAS
17636-10-1
EC
241-620-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Sodium 3-sulfanylpropane-1-sulfonate

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FRTIVUOKBXDGPD-UHFFFAOYSA-M, FTCLAXOKVVLHEG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H8O3S2.Na/c4-8(5,6)3-1-2-7;/h7H,1-3H2,(H,4,5,6);/q;+1/p-1
IUPAC name chemrof:IUPAC_name Sodium 3-sulfanylpropane-1-sulfonate
Molecular formula chemrof:molecular_formula C3H7NaO3S2, C3H8NaO3S2
SMILES string chemrof:smiles_string O=S(=O)([O-])CCCS.[Na+]

Known URLs

2

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=17636-10-1 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/45051753 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
d533cba8-ea3d-4538-b521-8c3d5d111507 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c7793684-c70e-425a-a035-f56fe88ee6c7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
3bbb181c-2d8e-49cd-89e5-260db6dcec54 Environmental → Air → Indoor EF 3.1 kg 4
2287107f-0d95-4207-9b35-0a88188a9623 Environmental → Air → Long-term EF 3.1 kg 0
4bf90dd9-2d4e-4a54-846d-939887992fc2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f22d7c34-2b57-42f3-89c3-7a036e8c5795 Environmental → Air → Unknown EF 3.1 kg 4
878e42c4-fa74-4ed7-badf-901bb13ba15f Environmental → Ground → Agricultural EF 3.1 kg 4
c0e9eb11-fae9-49b3-9537-eb00e5469c95 Environmental → Ground → Non-agricultural EF 3.1 kg 4
1ffc4d72-4546-4ebf-80f6-2844e1fe30c3 Environmental → Ground → Unknown EF 3.1 kg 4
3bfb73e4-c36f-4b23-b319-38bf156e6de8 Environmental → Water → Long-term EF 3.1 kg 0
0f36f3b7-d6de-4646-b32e-0fca6ccc4494 Environmental → Water → Ocean EF 3.1 kg 4
0a38d824-f054-4610-947e-c13c60d65715 Environmental → Water → Surface water EF 3.1 kg 4
905e4329-ca69-4671-aa67-8c40f8538099 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-1f96e593b3f85e57",
  "prefLabel": [
    {
      "@value": "Sodium 3-sulfanylpropane-1-sulfonate",
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  ],
  "altLabel": [
    {
      "@value": "1-Propanesulfonic acid, 3-mercapto-, monosodium salt",
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    {
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      }
    },
    {
      "@value": "3-Mercapto-1-propanesulfonic acid monosodium salt",
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      "@value": "3-Mercapto-propylsulfonate sodium salt",
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    {
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    },
    {
      "@value": "Sodium 3-mercaptopropylsulfonate",
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      }
    },
    {
      "@value": "Sodium γ-mercaptopropanesulfonate",
      "@language": "en",
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      "provenance": {
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        ],
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      "rdfs:label": "Molecular formula",
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      "rdfs:label": "SMILES",
      "@value": [
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      ],
      "provenance": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C3H8O3S2.Na/c4-8(5,6)3-1-2-7;/h7H,1-3H2,(H,4,5,6);/q;+1/p-1"
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        "prov:wasDerivedFrom": "pubchem.by_cas[17636-10-1]"
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  "created_from": {
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    "seed_uuid": "0a38d824-f054-4610-947e-c13c60d65715",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "multi_component_ionic",
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}

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