Name: Name:4,7-Bis(5-bromothiophen-2-yl)-5,6-bis(octyloxy)benzo[c][1,2,5]thiadiazole
Brand: Angene
SKU: AG000IF4
Rating: 90 (10 reviews)

4,7-Bis(5-bromothiophen-2-yl)-5,6-bis(octyloxy)benzo[c][1,2,5]thiadiazole

CAS No.:

1192352-10-5

Catalog Number:

AG000IF4

Molecular Formula:

C30H38Br2N2O2S3

Molecular Weight:

714.6379

Catalog Number:

AG000IF4

Chemical Name:

4,7-Bis(5-bromothiophen-2-yl)-5,6-bis(octyloxy)benzo[c][1,2,5]thiadiazole

CAS Number:

1192352-10-5

Molecular Formula:

C30H38Br2N2O2S3

Molecular Weight:

714.6379

MDL Number:

MFCD26743666

IUPAC Name:

4,7-bis(5-bromothiophen-2-yl)-5,6-dioctoxy-2,1,3-benzothiadiazole

InChI:

InChI=1S/C30H38Br2N2O2S3/c1-3-5-7-9-11-13-19-35-29-25(21-15-17-23(31)37-21)27-28(34-39-33-27)26(22-16-18-24(32)38-22)30(29)36-20-14-12-10-8-6-4-2/h15-18H,3-14,19-20H2,1-2H3

InChI Key:

QNBPEQCRDXBBCR-UHFFFAOYSA-N

SMILES:

CCCCCCCCOc1c(c2ccc(s2)Br)c2nsnc2c(c1OCCCCCCCC)c1ccc(s1)Br

Complexity:

630

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

714.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

714.634g/mol

Monoisotopic Mass:

712.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

129A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

13.3