Hexyl isothiocyanate

cas: 4404-45-9 — see every product listed under this CAS number, including other names

Hexyl isothiocyanate (CAS 4404-45-9) is a chemical reagent available from Chemat. Available pack sizes: 100g, 25g. Offered by: GLPBio.

brandGLPBio
catalog numberGD14391-100g
cas4404-45-9
size100g
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Available pack sizes

brand size price
GLPBio 100g 1411.45 Pln
GLPBio 25g 728.09 Pln

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

1-isothiocyanatohexane (CAS 4404-45-9) is a chemical compound with the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. IUPAC name: 1-isothiocyanatohexane. InChIKey: WXYAXKKXIGHXDS-UHFFFAOYSA-N.

Identity
Molecular formulaC7H13NS
Molecular weight143.25 g/mol
IUPAC name1-isothiocyanatohexane
InChIKeyWXYAXKKXIGHXDS-UHFFFAOYSA-N
SMILESCCCCCCN=C=S

Computed by PubChem (NCBI)

Synonyms: Hexyl isothiocyanate, 1-Isothiocyanatohexane, 1-Hexyl isothiocyanate, Hexane, 1-isothiocyanato-, Isothiocyanic acid, hexyl ester, 1-Isothiocyanato-hexane, HEXYL ISOTHIOCYANATE [FHFI], WXYAXKKXIGHXDS-UHFFFAOYSA-N, Hexylisothiocyanate, n-Hexyl isothiocyanate
Isomers (same molecular formula)
2-ethyl-4,5-dimethyl-2,5-dihydro-1,3-thiazole C7H13NS
(2R)-2-isothiocyanatohexane C7H13NS
2-[(2S)-butan-2-yl]-4,5-dihydro-1,3-thiazole C7H13NS
cyclohexanecarbothioamide C7H13NS
2-thia-7-azaspiro[4.4]nonane C7H13NS
7-thia-2-azaspiro[3.5]nonane C7H13NS
2-cyclopentylethanethioamide C7H13NS
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]thiazine C7H13NS
1,3,3a,4,5,6,7,7a-octahydrothieno[3,4-c]pyridine C7H13NS

Also listed as

Hexyl isothiocyanate, 95% Combi-blocks CAS 4404-45-9
1-Hexyl isothiocyanate, 97% Thermo Scientific (Alfa Aesar) CAS 4404-45-9
Hexylisothiocyanate 98% Ambeed CAS 4404-45-9
Hexyl isothiocyanate, 98% Fluorochem CAS 4404-45-9