Consensus flow list

Identity

Type
Neutral molecule
CAS
71868-10-5
EC
400-600-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-methyl-1-(4-methylthiophenyl)-2-morpholinopropan-1-one

Alternative labels

20

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LWRBVKNFOYUCNP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H21NO2S/c1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12/h4-7H,8-11H2,1-3H3
IUPAC name chemrof:IUPAC_name 2-methyl-1-(4-methylthiophenyl)-2-morpholinopropan-1-one
Molecular formula chemrof:molecular_formula C15H21NO2S
Molecular mass chemrof:molecular_mass 279.405
Monoisotopic mass chemrof:monoisotopic_mass 279.1293
SMILES string chemrof:smiles_string CSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1

Known URLs

10

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=71868-10-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.260 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.125.147 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8038857 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1411716 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/722CLJ6H6K enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0247316 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J73.113G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/92387 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27266008 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f5f2fecd-04b1-43ad-ae03-516a857f34b4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
40e43aed-efcb-4aa8-9941-9649846efbdf Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
f8cce475-62e7-4be6-83fc-85fcfaca6b22 Environmental → Air → Indoor EF 3.1 kg 4
b25a6a3e-3bfd-4f6f-835a-6e32934508aa Environmental → Air → Long-term EF 3.1 kg 0
30e938a3-deee-411c-ba75-95a305f4356d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d0900059-ab46-4311-ac60-897d15e48103 Environmental → Air → Unknown EF 3.1 kg 4
e6ec84fa-4e8d-4e60-8fe7-c808738d58f0 Environmental → Ground → Agricultural EF 3.1 kg 4
26f96afb-3c2e-4ea9-b6fd-26b318bddb44 Environmental → Ground → Non-agricultural EF 3.1 kg 4
818ca3b1-352e-45d6-81ec-33b4cca130aa Environmental → Ground → Unknown EF 3.1 kg 4
caaa33c9-ff59-421a-9a59-8dd1cc810834 Environmental → Water → Long-term EF 3.1 kg 0
d5bcdbc8-7f7c-47d5-afd4-3748965739e8 Environmental → Water → Ocean EF 3.1 kg 4
f58ff4c4-25ca-424e-b7ad-aa6da9942668 Environmental → Water → Surface water EF 3.1 kg 4
bd6ff71c-ca61-45f9-b2e4-8f8f6e9eedec Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
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