1-(2-Isothiocyatoethyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridiniumbromide

Catalog Number

ACM155862912-2

CAS

155862-91-2

Structure

IUPAC Name

2-[1-(2-isothiocyanatoethyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole;bromide

Molecular Weight

418.31

Molecular Formula

C18H16BrN3O2S

Canonical SMILES

COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CCN=C=S.[Br-]

InChI

InChI=1S/C18H16N3O2S.BrH/c1-22-16-4-2-14(3-5-16)17-12-20-18(23-17)15-6-9-21(10-7-15)11-8-19-13-24;/h2-7,9-10,12H,8,11H2,1H3;1H/q+1;/p-1

InChI Key

SKICOJPEBUOGMX-UHFFFAOYSA-M

Purity

90%+

Appearance

Yellow solid

Storage

Stored at -20 °C

• Catalog Number: ACM155862912-2
• CAS: 155862-91-2
• IUPAC Name: 2-[1-(2-isothiocyanatoethyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole;bromide
• Molecular Weight: 418.31
• Molecular Formula: C18H16BrN3O2S
• Canonical SMILES: COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CCN=C=S.[Br-]
• InChI: InChI=1S/C18H16N3O2S.BrH/c1-22-16-4-2-14(3-5-16)17-12-20-18(23-17)15-6-9-21(10-7-15)11-8-19-13-24;/h2-7,9-10,12H,8,11H2,1H3;1H/q+1;/p-1
• InChI Key: SKICOJPEBUOGMX-UHFFFAOYSA-M
• Purity: 90%+
• Appearance: Yellow solid
• Storage: Stored at -20 °C