Ethyl Isothiocyanate

1-Isothiocyanatoethane
EITC
Ethane, isothiocyanato-
Ethyl mustard oil
Ethyl thioisocyanate
isothiocyanatoethane
Isothiocyanic acid, ethyl ester

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	HBNYJWAFDZLWRS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3
IUPAC name chemrof:IUPAC_name	Ethyl Isothiocyanate
Molecular formula chemrof:molecular_formula	C3H5NS
Molecular mass chemrof:molecular_mass	87.147
Monoisotopic mass chemrof:monoisotopic_mass	87.01427
SMILES string chemrof:smiles_string	CCN=C=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
agr	agr:IND44569343	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=542-85-8	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:85098	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.008.029	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID2060258	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=84212	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2251727	enrich_references.pubchem_identifier_url
femaflavor.org	https://www.femaflavor.org/flavor-library/ethyl-isothiocyanate	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3284MJ2T8P	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0303226	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J33.544D	enrich_references.pubchem_identifier_url
platform.opentargets.org	https://platform.opentargets.org/drug/CHEMBL2251727	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/10966	enrich_references.pubchem_compound
PubMed	https://pubmed.ncbi.nlm.nih.gov/24039128	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/25532938	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/28295200	enrich_references.chebi_xrefs
reaxys	reaxys:1737705	enrich_references.chebi_xrefs
Wikidata	https://www.wikidata.org/wiki/Q27158332	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
d3970658-21e3-4ba5-be23-a22842c577c0	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
8c89e9f5-92e8-41ec-a44b-c08e867eb0e0	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
b4554825-af63-4638-9347-373e438a1741	Environmental → Air → Indoor	EF 3.1	kg	2
d971ce76-5dcb-4c10-9a33-faa20b9c679c	Environmental → Air → Long-term	EF 3.1	kg	0
ab3ef375-0b2a-4faa-8fb8-af761077ca47	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
88bf0131-42bb-4578-bae4-d3c539bb90a6	Environmental → Air → Unknown	EF 3.1	kg	2
613b403c-70fb-4f85-948c-2a34535b196d	Environmental → Ground → Agricultural	EF 3.1	kg	2
63458359-290f-4166-a183-9113e5a62494	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
a5e5c5db-318d-41c1-98ab-c21ff8eaf4d3	Environmental → Ground → Unknown	EF 3.1	kg	2
7649e47a-ae0b-4ba6-b95c-0024ef306f73	Environmental → Water → Long-term	EF 3.1	kg	0
65fb6d23-5083-4c09-b0ed-938bb1a690a3	Environmental → Water → Ocean	EF 3.1	kg	2
dfda3d68-3cf9-4d6d-bce9-8f18590243e6	Environmental → Water → Surface water	EF 3.1	kg	2
6c9b1cbe-fa8d-437d-b23b-a763216911d9	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

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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

Ethyl Isothiocyanate

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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