Name: Name:2,1,3-Benzothiadiazole, 5,6-bis(octyloxy)-
Brand: Angene
SKU: AG000NOT
Rating: 90 (10 reviews)

2,1,3-Benzothiadiazole, 5,6-bis(octyloxy)-

CAS No.:

1254353-37-1

Catalog Number:

AG000NOT

Molecular Formula:

C22H36N2O2S

Molecular Weight:

392.5984

Catalog Number:

AG000NOT

Chemical Name:

2,1,3-Benzothiadiazole, 5,6-bis(octyloxy)-

CAS Number:

1254353-37-1

Molecular Formula:

C22H36N2O2S

Molecular Weight:

392.5984

MDL Number:

MFCD19440987

IUPAC Name:

5,6-dioctoxy-2,1,3-benzothiadiazole

InChI:

InChI=1S/C22H36N2O2S/c1-3-5-7-9-11-13-15-25-21-17-19-20(24-27-23-19)18-22(21)26-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3

InChI Key:

GNYCNFWCQGDJRG-UHFFFAOYSA-N

SMILES:

CCCCCCCCOc1cc2nsnc2cc1OCCCCCCCC

Complexity:

327

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

392.25g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

392.602g/mol

Monoisotopic Mass:

392.25g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

8.6