Name: Name:7-bromo-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione
Brand: Angene
SKU: AG01B573
Rating: 90 (10 reviews)

7-bromo-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione

CAS No.:

855997-37-4

Catalog Number:

AG01B573

Molecular Formula:

C9H9BrO2S

Molecular Weight:

261.1356

Catalog Number:

AG01B573

Chemical Name:

7-bromo-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1-dione

CAS Number:

855997-37-4

Molecular Formula:

C9H9BrO2S

Molecular Weight:

261.1356

MDL Number:

MFCD27930078

IUPAC Name:

7-bromo-3,4-dihydro-2H-thiochromene 1,1-dioxide

InChI:

InChI=1S/C9H9BrO2S/c10-8-4-3-7-2-1-5-13(11,12)9(7)6-8/h3-4,6H,1-2,5H2

InChI Key:

DMJMKTQTDONYHP-UHFFFAOYSA-N

SMILES:

Brc1ccc2c(c1)S(=O)(=O)CCC2

Complexity:

281

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.951g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.133g/mol

Monoisotopic Mass:

259.951g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2