Consensus flow list

2-(2-carboxyphenyl)disulfanylbenzoic Acid

fo-f55727f12f2bcf86

Identity

Type
Neutral molecule
CAS
119-80-2
EC
204-352-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-(2-carboxyphenyl)disulfanylbenzoic Acid

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LBEMXJWGHIEXRA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H10O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)
IUPAC name chemrof:IUPAC_name 2-(2-carboxyphenyl)disulfanylbenzoic Acid
Molecular formula chemrof:molecular_formula C14H10O4S2
Molecular mass chemrof:molecular_mass 306.364
Monoisotopic mass chemrof:monoisotopic_mass 306.002051
SMILES string chemrof:smiles_string O=C(O)c1ccccc1SSc1ccccc1C(=O)O

Known URLs

14

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=119-80-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.957 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1623 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1059498 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=213 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=405662 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5346 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=633230 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL118378 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/58MGB5279D enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J31.929E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8409 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=032758 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27261609 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2792e4f9-b252-4cbd-b90a-c03e972b3b7f Environmental → Air → Aircraft cruise height EF 3.1 kg 4
7d003b56-29ac-4eca-8a1b-bd3f4dc4b92f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e88d01be-0220-460f-868c-26b3f3441c59 Environmental → Air → Indoor EF 3.1 kg 4
ee966fa5-cad7-401a-abd7-7084b219b379 Environmental → Air → Long-term EF 3.1 kg 0
9219606a-949d-4253-bb52-a64124c29637 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fbfbc60d-383b-48c1-8c6a-c499830b553d Environmental → Air → Unknown EF 3.1 kg 4
c881ade5-d0ae-4ff8-8b3d-4f13bd7548c0 Environmental → Ground → Agricultural EF 3.1 kg 4
0fa007f6-6875-4fd8-84ea-73de45c5bde0 Environmental → Ground → Non-agricultural EF 3.1 kg 4
05442799-7be4-4c9c-bb69-8691bed1bd92 Environmental → Ground → Unknown EF 3.1 kg 4
6f586143-9540-4d7e-87fd-e5e6ef497f9e Environmental → Water → Long-term EF 3.1 kg 0
d01dd838-2323-448c-a756-2e396db95935 Environmental → Water → Ocean EF 3.1 kg 4
1a858858-eae6-492c-a172-58ba55aab53e Environmental → Water → Surface water EF 3.1 kg 4
6b7dffbb-47e4-4f09-b8c4-ec02efee63ce 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-f55727f12f2bcf86",
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      "@value": "2-(2-carboxyphenyl)disulfanylbenzoic Acid",
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    {
      "@value": "Bis(o-carboxylphenyl) disulfide",
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}

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