Products 4404-45-9

CAS 4404-45-9 appears in our catalog under these names: Hexyl isothiocyanate, 95%, Hexyl isothiocyanate, 1-Hexyl isothiocyanate, 97% , Hexylisothiocyanate 98%, Hexyl isothiocyanate, 98%. Offered by: Combi-blocks, GLPBio, Thermo Scientific (Alfa Aesar), Ambeed, Fluorochem. Available pack sizes: 1g, 25g, 5g, 100g.

Hexyl isothiocyanate, 95%
Combi-blocks
  • size: 1g, 25g, 5g
  • Variants: 3
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Hexyl isothiocyanate
GLPBio
  • size: 100g, 25g
  • Variants: 2
from 728.09
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1-Hexyl isothiocyanate, 97%
Thermo Scientific (Alfa Aesar)
  • size: 5g, 25g
  • Variants: 2
from 210.25
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Hexylisothiocyanate 98%
Ambeed
  • size: 5g, 25g
  • Variants: 2
from 292.50
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Hexyl isothiocyanate, 98%
Fluorochem
  • size: 1g, 5g, 25g
  • Variants: 3
from 112.48
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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