N-(3-Isothiocyatopropyl)-4-(5'-(4"-methoxyphenyl)-2'-oxazolyl)pyridiniumbro

Catalog Number

ACM1034443418-1

CAS

1034443-41-8

Synonyms

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

IUPAC Name

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

Molecular Weight

432.33

Molecular Formula

C19H18BrN3O2S

Canonical SMILES

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

InChI

InChI=1S/C19H18N3O2S.BrH/c1-23-17-5-3-15(4-6-17)18-13-21-19(24-18)16-7-11-22(12-8-16)10-2-9-20-14-25;/h3-8,11-13H,2,9-10H2,1H3;1H/q+1;/p-1

InChI Key

UWIWYJHLIMRTOL-UHFFFAOYSA-M

Purity

90%+

Appearance

Solid

Storage

Stored at -20 °C

• Catalog Number: ACM1034443418-1
• CAS: 1034443-41-8
• Synonyms: 2-[1-(3-isothiocyanatopropyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole:bromide
• IUPAC Name: 2-[1-(3-isothiocyanatopropyl)pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole;bromide
• Molecular Weight: 432.33
• Molecular Formula: C19H18BrN3O2S
• Canonical SMILES: COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CCCN=C=S.[Br-]
• InChI: InChI=1S/C19H18N3O2S.BrH/c1-23-17-5-3-15(4-6-17)18-13-21-19(24-18)16-7-11-22(12-8-16)10-2-9-20-14-25;/h3-8,11-13H,2,9-10H2,1H3;1H/q+1;/p-1
• InChI Key: UWIWYJHLIMRTOL-UHFFFAOYSA-M
• Purity: 90%+
• Appearance: Solid
• Storage: Stored at -20 °C