1,3-dimethyl-2-thiourea

1,3-Dimethylisothiourea
1,3-Dimethylthiourea
Dimethylthiocarbamide
sym-Dimethylthiourea
Urea, 1,3-dimethyl-2-thio-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	VLCDUOXHFNUCKK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
IUPAC name chemrof:IUPAC_name	1,3-dimethyl-2-thiourea
Molecular formula chemrof:molecular_formula	C3H8N2S
Molecular mass chemrof:molecular_mass	104.178
Monoisotopic mass chemrof:monoisotopic_mass	104.040819
SMILES string chemrof:smiles_string	CNC(=S)NC

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=534-13-4	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.007.809	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID2042191	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8727	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3189044	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8P30PMD17W	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0255274	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.407B	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130702	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/2723631	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018884	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q26840925	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
23729ccd-1dd9-4c67-a330-fd96f829d268	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
813d5115-b593-432e-a159-f92f11587759	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
93115ae0-d587-4e92-8470-0b7818e52872	Environmental → Air → Indoor	EF 3.1	kg	2
b69cc4d2-57fe-4bda-8c8a-7763e64b413c	Environmental → Air → Long-term	EF 3.1	kg	0
e1d60214-d14f-4a61-bf41-23b0e9b11fe5	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
2a909d77-f50f-4169-8114-fb4da204d8f1	Environmental → Air → Unknown	EF 3.1	kg	2
690373d3-b2c5-432c-84d7-cd5f0f66a04f	Environmental → Ground → Agricultural	EF 3.1	kg	2
44461a81-fbbd-4eb1-a6b2-ed64c2320ee8	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
6e1616c4-2c43-4c02-afc6-7a6516a5e910	Environmental → Ground → Unknown	EF 3.1	kg	2
4dabec50-576d-42de-ba48-0badb51dd099	Environmental → Water → Long-term	EF 3.1	kg	0
d06ca19c-1ddb-4509-8ad6-ceddcc25e1be	Environmental → Water → Ocean	EF 3.1	kg	2
098a252a-9092-48ca-853a-0b1dc64c9d9f	Environmental → Water → Surface water	EF 3.1	kg	2
3e6d5def-fa73-49f8-96ab-37a9c349f9f2	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-b4f6ad04875d0a18",
  "prefLabel": [
    {
      "@value": "1,3-dimethyl-2-thiourea",
      "@language": "en",
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  ],
  "altLabel": [
    {
      "@value": "1,3-Dimethylisothiourea",
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    },
    {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
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    {
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}

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1,3-dimethyl-2-thiourea

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