C545T

Catalog Number

ACM155306711-4

CAS

155306-71-1

Structure

Synonyms

Coumarin545T;C545T;10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-(1)benzopyropyrano(6,7-8-I,j)quinolizin-11-one; ;C-545T

IUPAC Name

5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one

Molecular Weight

430.56

Molecular Formula

C26H26N2O2S

Canonical SMILES

CC1(CCN2CCC(C3=C4C(=CC1=C32)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)(C)C)C

InChI

InChI=1S/C26H26N2O2S/c1-25(2)9-11-28-12-10-26(3,4)20-21(28)17(25)14-15-13-16(24(29)30-22(15)20)23-27-18-7-5-6-8-19(18)31-23/h5-8,13-14H,9-12H2,1-4H3

InChI Key

MSDMPJCOOXURQD-UHFFFAOYSA-N

Boiling Point

230 - 232 °C

Melting Point

615.3 ± 65.0 °C

Purity

95%+

Density

1.33 ± 0.1 g/ml

• Catalog Number: ACM155306711-4
• CAS: 155306-71-1
• Synonyms: Coumarin545T;C545T;10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-(1)benzopyropyrano(6,7-8-I,j)quinolizin-11-one; ;C-545T
• IUPAC Name: 5-(1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
• Molecular Weight: 430.56
• Molecular Formula: C26H26N2O2S
• Canonical SMILES: CC1(CCN2CCC(C3=C4C(=CC1=C32)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)(C)C)C
• InChI: InChI=1S/C26H26N2O2S/c1-25(2)9-11-28-12-10-26(3,4)20-21(28)17(25)14-15-13-16(24(29)30-22(15)20)23-27-18-7-5-6-8-19(18)31-23/h5-8,13-14H,9-12H2,1-4H3
• InChI Key: MSDMPJCOOXURQD-UHFFFAOYSA-N
• Boiling Point: 230 - 232 °C
• Melting Point: 615.3 ± 65.0 °C
• Purity: 95%+
• Density: 1.33 ± 0.1 g/ml