Consensus flow list

Methyl-2-thiourea

fo-ca01d5a2a1ec751f

Identity

Type
Neutral molecule
CAS
598-52-7
EC
209-936-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Methyl-2-thiourea

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KQJQICVXLJTWQD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C2H6N2S/c1-4-2(3)5/h1H3,(H3,3,4,5)
IUPAC name chemrof:IUPAC_name Methyl-2-thiourea
Molecular formula chemrof:molecular_formula C2H6N2S
Molecular mass chemrof:molecular_mass 90.151
Monoisotopic mass chemrof:monoisotopic_mass 90.025169, 90.02517
SMILES string chemrof:smiles_string CNC(N)=S

Known URLs

32

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=598-52-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:188347 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.034 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.2005903.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90208533 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=30213 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4475870 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/HRK3DMO87X enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0255194 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.719G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/2723704 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018817 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10725113 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15997371 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16136239 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18464928 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23256569 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23264945 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23873066 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24312826 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24477281 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2568740 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3087930 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3087931 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31093638 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32326038 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33562907 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34788025 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3921689 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6810507 enrich_references.chebi_xrefs
reaxys reaxys:506162 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q72491695 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
941f8e94-92e2-4549-8b41-2b84efb417e6 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
2b6c683b-82fc-4e87-8090-166ff31c9241 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6a57c529-3bd7-47db-ba57-06583ea7e1d1 Environmental → Air → Indoor EF 3.1 kg 2
1c4b43e9-227e-4363-af1f-2cb9c30a57f0 Environmental → Air → Long-term EF 3.1 kg 0
9cf8e78a-ccce-4e97-a5ad-25e463343387 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4e7d627e-3284-4653-a483-ca94aef14c5a Environmental → Air → Unknown EF 3.1 kg 2
c07ae514-0aa7-4c10-9be8-d2c75cf05c7e Environmental → Ground → Agricultural EF 3.1 kg 2
c9cc33dd-af25-45a1-b0cc-8869f97ff751 Environmental → Ground → Non-agricultural EF 3.1 kg 2
9a9702d5-87c5-43b9-9841-5b4857e62652 Environmental → Ground → Unknown EF 3.1 kg 2
76748fc1-d1cf-4a91-bb21-40640c4b92db Environmental → Water → Long-term EF 3.1 kg 0
84383a9a-9721-43fe-ba7b-98623796f8a7 Environmental → Water → Ocean EF 3.1 kg 2
03125d36-a787-4575-ad5d-25d618659fec Environmental → Water → Surface water EF 3.1 kg 2
a0d9d6d2-df24-44e4-a8f6-ea38c974f442 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
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