Name: Name:2-bromo-8lambda6-thiabicyclo[3.2.1]octane-3,8,8-trione
Brand: Angene
SKU: AG01ELV4
Rating: 90 (10 reviews)

2-bromo-8lambda6-thiabicyclo[3.2.1]octane-3,8,8-trione

CAS No.:

2126176-82-5

Catalog Number:

AG01ELV4

Molecular Formula:

C7H9BrO3S

Molecular Weight:

253.1136

Catalog Number:

AG01ELV4

Chemical Name:

2-bromo-8lambda6-thiabicyclo[3.2.1]octane-3,8,8-trione

CAS Number:

2126176-82-5

Molecular Formula:

C7H9BrO3S

Molecular Weight:

253.1136

MDL Number:

MFCD31381148

IUPAC Name:

2-bromo-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-one

InChI:

InChI=1S/C7H9BrO3S/c8-7-5(9)3-4-1-2-6(7)12(4,10)11/h4,6-7H,1-3H2

InChI Key:

CRNCHDFHEKQLRU-UHFFFAOYSA-N

SMILES:

O=C1CC2CCC(C1Br)S2(=O)=O

Complexity:

316

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.946g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.11g/mol

Monoisotopic Mass:

251.946g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6