Phenyl-2-thiourea
fo-9e76b685b6bf480a
Identity
- Type
- Neutral molecule
- CAS
- 103-85-5
- EC
- 203-151-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
16- 1-phenyl-2-thiourea
- 1-phenylthiourea
- alpha-phenylthiourea
- MeSH ID: D010670
- monophenyl thiourea
- N-Phenylthiocarbamide
- N-Phenylthiourea
- phenylthiocarbamide
- phenylthiourea
- PhNHC(=S)NH2
- PhNHC(S)NH2
- PhNHCSNH2
- Thiourea, N-phenyl-
- Thiourea, phenyl-
- Urea, 1-phenyl-2-thio-
- α-Phenylthiourea
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | FULZLIGZKMKICU-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10) |
| IUPAC name chemrof:IUPAC_name | Phenyl-2-thiourea |
| Molecular formula chemrof:molecular_formula | C7H8N2S |
| Molecular mass chemrof:molecular_mass | 152.222 |
| Monoisotopic mass chemrof:monoisotopic_mass | 152.040819, 152.04082 |
| SMILES string chemrof:smiles_string | NC(=S)Nc1ccccc1 |
Known URLs
34Where 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=103-85-5 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:46261 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.865 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9021134 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB03694 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB03694 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5779 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL263376 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6F82C6Q54C | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0256448 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.517D | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=148188 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-7084 | enrich_references.chebi_xrefs |
| pdb-ccd | pdb-ccd:URS | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL263376 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/676454 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2811 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=022764 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/13914407 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/20484932 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21534859 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22656649 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22690050 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/22761952 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23598058 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/25962731 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/26005654 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/26226450 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/27402661 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/4113332 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/834304 | enrich_references.chebi_xrefs |
| reaxys | reaxys:907309 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q411216 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Phenylthiocarbamide | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 00399ec3-775e-459b-9a75-c45f9cc01f49 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 5ecd262c-a767-4acd-a884-258d40645472 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 9f67fdf7-9d8f-4489-b9ef-8119685324d9 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 318b104f-af1d-4853-813c-55e280271b28 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 9283cbb0-584c-413f-a82d-ce37e9d2e245 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 961b7a5f-4a2e-4082-a634-3452e864982e | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| f2cd409f-f8fe-4028-9461-dc4226a54cf4 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 9532ebaf-294e-46bc-93e9-f20c9fbbb36a | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| e689b18c-2486-49a7-aa62-6aa4998fb36b | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 46d0ade3-74f5-4f8b-a80d-dc82b2c9beef | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 9b50cc53-8b8f-410c-b976-47d07727c7de | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 24753167-96b2-439e-9d99-0ea4c449cb4a | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 021f7a54-1d28-479f-90ac-ec2807b502f9 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works