1-(2-Isothiocyatoethyl)-4-[2-(3,4-dihydro-2H-1-benzopyranyl-6-yl)-5-oxazolyl

Catalog Number

ACM155863028-2

CAS

155863-02-8

IUPAC Name

2-(3,4-dihydro-2H-chromen-6-yl)-5-[1-(2-isothiocyanatoethyl)pyridin-1-ium-4-yl]-1,3-oxazole;bromide

Molecular Weight

444.34

Molecular Formula

C20H18BrN3O2S

Canonical SMILES

C1CC2=C(C=CC(=C2)C3=NC=C(O3)C4=CC=[N+](C=C4)CCN=C=S)OC1.[Br-]

InChI

C1CC2=C(C=CC(=C2)C3=NC=C(O3)C4=CC=[N+](C=C4)CCN=C=S)OC1.[Br-]

InChI Key

DKHIKMKBZZKQPN-UHFFFAOYSA-M

Purity

95%+

Appearance

Solid

Storage

Stored at -20 °C

• Catalog Number: ACM155863028-2
• CAS: 155863-02-8
• IUPAC Name: 2-(3,4-dihydro-2H-chromen-6-yl)-5-[1-(2-isothiocyanatoethyl)pyridin-1-ium-4-yl]-1,3-oxazole;bromide
• Molecular Weight: 444.34
• Molecular Formula: C20H18BrN3O2S
• Canonical SMILES: C1CC2=C(C=CC(=C2)C3=NC=C(O3)C4=CC=[N+](C=C4)CCN=C=S)OC1.[Br-]
• InChI: C1CC2=C(C=CC(=C2)C3=NC=C(O3)C4=CC=[N+](C=C4)CCN=C=S)OC1.[Br-]
• InChI Key: DKHIKMKBZZKQPN-UHFFFAOYSA-M
• Purity: 95%+
• Appearance: Solid
• Storage: Stored at -20 °C