3,3'-sulfanediyldipropanoic Acid

3,3′-Thiobis[propanoic acid\]
3,3′-Thiodipropanoic acid
3,3′-Thiodipropionic acid
3-(2-carboxyethylsulanyl)propanoic acid
3-[(2-Carboxyethyl)sulfanyl]propanoic acid
4-Thiaheptanedioic acid
Bis(2-carboxyethyl) sulfide
Diethyl sulfide 2,2′-dicarboxylic acid
Propanoic acid, 3,3′-thiobis-
Propionic acid, 3,3′-thiodi-
TDPA
Thiodihydracrylic acid
Thiodipropionic acid
Tyox A
UF7990000
β,β′-Thiodipropionic acid

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	ODJQKYXPKWQWNK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
IUPAC name chemrof:IUPAC_name	3,3'-sulfanediyldipropanoic Acid
Molecular formula chemrof:molecular_formula	C6H10O4S
Molecular mass chemrof:molecular_mass	178.209
Monoisotopic mass chemrof:monoisotopic_mass	178.02998
SMILES string chemrof:smiles_string	O=C(O)CCSCCC(=O)O

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=111-17-1	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:165380	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.493	enrich_references.pubchem_identifier_url
ChemSpider	https://www.chemspider.com/Chemical-Structure.7805.html	enrich_references.chebi_xrefs
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID8044200	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8166	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1569439	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3BBK323ED8	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0031162	enrich_references.chebi_xrefs
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J38.156J	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=44716	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/8096	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q2823309	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
03df01cb-1f06-4d3e-ac15-634588b56ad5	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
f23a68c4-8cea-40ea-b7d2-aeba3e29ac0c	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
21c83345-accc-408f-a95d-5b1b6657858d	Environmental → Air → Indoor	EF 3.1	kg	4
0292d9f8-a245-4f80-995b-462417a4c876	Environmental → Air → Long-term	EF 3.1	kg	0
96611f7d-ac2e-4983-b4a7-bd43f63f60f9	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
3ebf225b-4b12-4013-86de-23ddd26f16d4	Environmental → Air → Unknown	EF 3.1	kg	4
1753f7f6-8644-4877-b6d1-5be6aad14186	Environmental → Ground → Agricultural	EF 3.1	kg	4
21a380bd-7609-42cb-9bea-67381465f891	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
204724cd-699e-4903-a6c3-da075054116d	Environmental → Ground → Unknown	EF 3.1	kg	4
84a36bf0-1816-4c83-8bbb-6174cc17d83d	Environmental → Water → Long-term	EF 3.1	kg	0
41420f90-a616-49c6-859e-6e90f6a3a849	Environmental → Water → Ocean	EF 3.1	kg	4
1af9b573-f4cf-4598-be98-52590c83d346	Environmental → Water → Surface water	EF 3.1	kg	4
26649797-92ba-4329-b2c2-a016769102b8	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
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3,3'-sulfanediyldipropanoic Acid

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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