Name: Name:3-({[(3-bromophenyl)methyl]amino}methyl)-1lambda6-thiolane-1,1-dione
Brand: Angene
SKU: AG01BD97
Rating: 90 (10 reviews)

3-({[(3-bromophenyl)methyl]amino}methyl)-1lambda6-thiolane-1,1-dione

CAS No.:

1182742-28-4

Catalog Number:

AG01BD97

Molecular Formula:

C12H16BrNO2S

Molecular Weight:

318.2299

Catalog Number:

AG01BD97

Chemical Name:

3-({[(3-bromophenyl)methyl]amino}methyl)-1lambda6-thiolane-1,1-dione

CAS Number:

1182742-28-4

Molecular Formula:

C12H16BrNO2S

Molecular Weight:

318.2299

MDL Number:

MFCD13239910

IUPAC Name:

N-[(3-bromophenyl)methyl]-1-(1,1-dioxothiolan-3-yl)methanamine

InChI:

InChI=1S/C12H16BrNO2S/c13-12-3-1-2-10(6-12)7-14-8-11-4-5-17(15,16)9-11/h1-3,6,11,14H,4-5,7-9H2

InChI Key:

WCMGMHMJMNSTKV-UHFFFAOYSA-N

SMILES:

Brc1cccc(c1)CNCC1CCS(=O)(=O)C1

Complexity:

339

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

317.009g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

318.229g/mol

Monoisotopic Mass:

317.009g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7