2-hydroxy-4-(methylsulfanyl)butanenitrile

1-Hydroxy-3-methylthiopropanecarbonitrile
2-Hydroxy-4-(methylthio)butanenitrile
2-Hydroxy-4-(methylthio)butyronitrile
3-(Methylmercapto)propionaldehyde cyanohydrin
4-(Methylthio)-2-hydroxybutyronitrile
Butanenitrile, 2-hydroxy-4-(methylthio)-
Butyronitrile, 2-hydroxy-4-(methylthio)-
α-Hydroxy-4-(methylthio)butyronitrile

Property	Value
InChI2D key string chemrof:inchi2d_key_string	VWWOJJANXYSACS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C5H9NOS/c1-8-3-2-5(7)4-6/h5,7H,2-3H2,1H3
IUPAC name chemrof:IUPAC_name	2-hydroxy-4-(methylsulfanyl)butanenitrile
Molecular formula chemrof:molecular_formula	C5H9NOS
Molecular mass chemrof:molecular_mass	131.2
Monoisotopic mass chemrof:monoisotopic_mass	131.040485
SMILES string chemrof:smiles_string	CSCCC(O)C#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=17773-41-0	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.037.945	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID80884986	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J27.742H	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/87302	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q82863618	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
1132f7db-0425-4ec8-a1a2-93734f32b925	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
4ac7650a-237d-452e-9e7a-b31004310e5e	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
4c5f167c-bb0e-4cd4-8cf2-5d5523c9b297	Environmental → Air → Indoor	EF 3.1	kg	2
cdf49261-97fc-4e85-bd28-35ebbe8cbcfd	Environmental → Air → Long-term	EF 3.1	kg	0
9a879c01-a3de-48f4-b188-c1f4e2af56b3	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
5697a8af-2098-4c66-9e1d-81a81c9f356e	Environmental → Air → Unknown	EF 3.1	kg	2
f5bb47a1-98d9-471a-aea2-fbc65f6c77fd	Environmental → Ground → Agricultural	EF 3.1	kg	2
fdce3261-c77c-476d-ab6b-2ec990c20da1	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
8e47e18e-4a85-4fce-a950-66ccd4a24f7e	Environmental → Ground → Unknown	EF 3.1	kg	2
3c00feef-159d-4467-ad92-61530d23ff86	Environmental → Water → Long-term	EF 3.1	kg	0
df4a9c90-00bb-4bf6-915b-01fd193650a6	Environmental → Water → Ocean	EF 3.1	kg	2
40dd24e1-7c76-4c50-9c22-44e886f60aaa	Environmental → Water → Surface water	EF 3.1	kg	2
bd311852-b9a8-4fcb-a420-b0e354409e5c	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (53 changes)

Open the changes page

Flow object JSON

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}

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2-hydroxy-4-(methylsulfanyl)butanenitrile

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Structure

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