Products 5399-30-4

CAS 5399-30-4 appears in our catalog under these names: Phenacyl thiocyanate, 95%, 1-Phenyl-2-thiocyanatoethanone, 95+%, Phenacyl thiocyanate, ≥95%. Offered by: Combi-blocks, AmBeed, Chemat. Available pack sizes: 5g, 1g, 50mg, 200mg, 250mg.

Phenacyl thiocyanate, 95%
Combi-blocks
  • size: 5g, 1g
  • Variants: 2
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1-Phenyl-2-thiocyanatoethanone, 95+%
AmBeed
  • size: 5g
  • Variants: 1
from 5994.10
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Phenacyl thiocyanate, ≥95%
Chemat
  • size: 50mg, 200mg, 250mg, 1g
  • Variants: 4
from 179.60
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Structural formula: {0} (CAS {1})

Phenacyl thiocyanate (CAS 5399-30-4) is a chemical compound with the molecular formula C9H7NOS and a molecular weight of 177.22 g/mol. IUPAC name: phenacyl thiocyanate. InChIKey: DLLVIJACDVJDIP-UHFFFAOYSA-N.

Identity
Molecular formulaC9H7NOS
Molecular weight177.22 g/mol
IUPAC namephenacyl thiocyanate
InChIKeyDLLVIJACDVJDIP-UHFFFAOYSA-N
SMILESC1=CC=C(C=C1)C(=O)CSC#N

Computed by PubChem (NCBI)

Synonyms: Phenacyl thiocyanate, DLLVIJACDVJDIP-UHFFFAOYSA-N, 2-Oxo-2-phenylethyl thiocyanate, 1-Phenyl-2-thiocyanato-ethanone, 2-(cyanosulfanyl)-1-phenylethan-1-one, 1-phenyl-2-thiocyanatoethanone, (2-oxo-2-phenylethyl)thiocarbonitrile, PHENACYLTHIOCYANATE, Thiocyanato-acetophenone, Thiocyanic acid,2-oxo-2-phenylethyl ester
Isomers (same molecular formula)
2-phenyl-1,3-thiazol-4-ol C9H7NOS
4-phenyl-3H-1,3-thiazol-2-one C9H7NOS
2-methylbenzoyl isothiocyanate C9H7NOS
1-(3-isothiocyanatophenyl)ethanone C9H7NOS
1-(4-isothiocyanatophenyl)ethanone C9H7NOS
1-benzothiophene-2-carboxamide C9H7NOS
1-(1,3-benzothiazol-6-yl)ethanone C9H7NOS
4-methylbenzoyl isothiocyanate C9H7NOS
4-(1,3-thiazol-2-yl)phenol C9H7NOS
3-thiophen-2-yl-1H-pyridin-2-one C9H7NOS
4-methyl-1,3-benzothiazole-2-carbaldehyde C9H7NOS
2-thiophen-2-yloxypyridine C9H7NOS