Name: Name:4-(6-((Methylsulfonyl)oxy)benzo[b]thiophen-2-yl)phenyl methanesulfonate
Brand: Angene
SKU: AG008I2X
Rating: 90 (10 reviews)

4-(6-((Methylsulfonyl)oxy)benzo[b]thiophen-2-yl)phenyl methanesulfonate

CAS No.:

84449-65-0

Catalog Number:

AG008I2X

Molecular Formula:

C16H14O6S3

Molecular Weight:

398.4738

Catalog Number:

AG008I2X

Chemical Name:

4-(6-((Methylsulfonyl)oxy)benzo[b]thiophen-2-yl)phenyl methanesulfonate

CAS Number:

84449-65-0

Molecular Formula:

C16H14O6S3

Molecular Weight:

398.4738

MDL Number:

MFCD16620994

IUPAC Name:

[4-(6-methylsulfonyloxy-1-benzothiophen-2-yl)phenyl] methanesulfonate

InChI:

InChI=1S/C16H14O6S3/c1-24(17,18)21-13-6-3-11(4-7-13)15-9-12-5-8-14(10-16(12)23-15)22-25(2,19)20/h3-10H,1-2H3

InChI Key:

OPKQAMCWGICRGH-UHFFFAOYSA-N

SMILES:

CS(=O)(=O)Oc1ccc(cc1)c1sc2c(c1)ccc(c2)OS(=O)(=O)C

Complexity:

655

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

397.995g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

398.462g/mol

Monoisotopic Mass:

397.995g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

132A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7