Allylthiourea

(2-Propenyl)thiourea
(Prop-2-en-1-yl)thiourea
1-Allyl-2-thiourea
1-Allylthiourea
1-prop-2-en-1-ylthiourea
2-Propenylthiourea
Allylthiocarbamide
Aminosin
N-2-Propen-1-ylthiourea
N-Allylthiourea
Rhodallin
Rhodalline
Thiosinamin
Thiosinamine
Thiourea, 2-propenyl-
Thiourea, N-2-propen-1-yl-
Tiosinamine
Urea, 1-allyl-2-thio-

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	HTKFORQRBXIQHD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C4H8N2S/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)
IUPAC name chemrof:IUPAC_name	Allylthiourea
Molecular formula chemrof:molecular_formula	C4H8N2S
Molecular mass chemrof:molecular_mass	116.189
Monoisotopic mass chemrof:monoisotopic_mass	116.040819, 116.04082
SMILES string chemrof:smiles_string	C=CCNC(N)=S

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=109-57-9	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:74079	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.349	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3024449	enrich_references.pubchem_identifier_url
drugbank.ca	https://www.drugbank.ca/drugs/DB20162	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1915	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=760355	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1451910	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/706IDJ14B7	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.432E	enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov	https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C80237	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/1549517	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#2811	enrich_references.pubchem_identifier_url
PubMed	https://pubmed.ncbi.nlm.nih.gov/14451875	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/14491316	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/19107472	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/9603846	enrich_references.chebi_xrefs
reaxys	reaxys:1071470	enrich_references.chebi_xrefs
wikidata.org	https://www.wikidata.org/wiki/Q2649520	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
94128bd1-62ee-43b3-9b73-5dced944c943	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
8809f352-b27d-4b30-a41a-5bd301ad3276	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
c66d59d7-43dd-49fb-9843-c5d03adefce1	Environmental → Air → Indoor	EF 3.1	kg	2
aa993c18-a06b-49c6-9e3c-7b50304c61b5	Environmental → Air → Long-term	EF 3.1	kg	0
591fa525-b728-43c2-a095-11b3320f967a	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
82d08fcf-1f7f-4aef-a369-a7483267b023	Environmental → Air → Unknown	EF 3.1	kg	2
92dc82a9-481d-4a64-be3c-9540f847208c	Environmental → Ground → Agricultural	EF 3.1	kg	2
5f2f5fca-74cf-4ba7-9472-da8a173eb3c8	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
c38aae3e-6886-4f6d-9847-c875fd8187bc	Environmental → Ground → Unknown	EF 3.1	kg	2
93af2f47-4835-47ab-ad40-210674ea7a5c	Environmental → Water → Long-term	EF 3.1	kg	0
734ba229-a7ce-4c13-bcd2-03d1f4254c36	Environmental → Water → Ocean	EF 3.1	kg	2
a48e47d7-1c3e-43f9-ac4f-46db936eab63	Environmental → Water → Surface water	EF 3.1	kg	2
c00e8da5-ae53-4663-8e9a-2f97eded5789	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (59 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-c83ea69baf3c3f5f",
  "prefLabel": [
    {
      "@value": "Allylthiourea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2-Propenyl)thiourea",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(Prop-2-en-1-yl)thiourea",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    {
      "@value": "1-Allyl-2-thiourea",
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    {
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    },
    {
      "@value": "2-Propenylthiourea",
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    },
    {
      "@value": "Allylthiocarbamide",
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    },
    {
      "@value": "Aminosin",
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    },
    {
      "@value": "N-2-Propen-1-ylthiourea",
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    {
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    },
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      "@value": "Thiourea, N-2-propen-1-yl-",
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Allylthiourea

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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