2-(2-butoxyethoxy)ethyl Thiocyanate

1-(2-(2-Thiocyanatoethoxy)ethoxy)butane
1-Butoxy-2-(2-thiocyanoethoxy)ethane
3,6-Dioxadecyl thiocyanate
Butyl carbitol rhodanate
Butyl carbitol thiocyanate
Lethane
Thiocyanic acid, 2-(2-butoxyethoxy)ethyl ester

Property	Value
InChI2D key string chemrof:inchi2d_key_string	JVGPVVUTUMQJKL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C9H17NO2S/c1-2-3-4-11-5-6-12-7-8-13-9-10/h2-8H2,1H3
IUPAC name chemrof:IUPAC_name	2-(2-butoxyethoxy)ethyl Thiocyanate
Molecular formula chemrof:molecular_formula	C9H17NO2S
Molecular mass chemrof:molecular_mass	203.307
Monoisotopic mass chemrof:monoisotopic_mass	203.098
SMILES string chemrof:smiles_string	CCCCOCCOCCSC#N

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=112-56-1	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.623	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID6024674	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3534	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1867205	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z8ANL9B54I	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.128D	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/8196	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#2810	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018417	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q27295138	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
5ee10346-8ba5-496f-bde8-840586818fed	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
3ee2d743-fad7-4f80-ac21-5c1fbb9b4e12	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
20209117-7d72-4498-9b10-30ae9562f7ca	Environmental → Air → Indoor	EF 3.1	kg	2
f2a2f02b-ecc6-4279-a9d4-e5ec71d4c6a4	Environmental → Air → Long-term	EF 3.1	kg	0
9348b24e-d12f-4d50-a48d-ca24bcf378f1	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
2a7e8115-cc2f-4714-a5e7-49f161cebb9b	Environmental → Air → Unknown	EF 3.1	kg	2
8e777826-6304-4dc9-8b89-938b179cd696	Environmental → Ground → Agricultural	EF 3.1	kg	2
09094b74-6f8a-4eb8-a6a2-7ac653b5709b	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
4c251818-110e-4a5c-9bbb-e970fd2af17a	Environmental → Ground → Unknown	EF 3.1	kg	2
7fe8bbcc-1bb7-464d-af74-bab961353564	Environmental → Water → Long-term	EF 3.1	kg	0
1aea3fcb-9d2b-45bd-8f23-e4bbc8ae2f00	Environmental → Water → Ocean	EF 3.1	kg	2
dd71450f-c9df-4d26-b14b-2cc55288eb69	Environmental → Water → Surface water	EF 3.1	kg	2
d901799e-da8e-4be1-9886-18b8f95fa023	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

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Flow object JSON

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2-(2-butoxyethoxy)ethyl Thiocyanate

Identity

Structure

Alternative labels

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Known URLs

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