Name: Name:3-{[3-(hydroxymethyl)phenyl]sulfanyl}-1-methylpyrrolidin-2-one
Brand: Angene
SKU: AG01ALA3
Rating: 90 (10 reviews)

3-{[3-(hydroxymethyl)phenyl]sulfanyl}-1-methylpyrrolidin-2-one

CAS No.:

1500225-39-7

Catalog Number:

AG01ALA3

Molecular Formula:

C12H15NO2S

Molecular Weight:

237.3180

Catalog Number:

AG01ALA3

Chemical Name:

3-{[3-(hydroxymethyl)phenyl]sulfanyl}-1-methylpyrrolidin-2-one

CAS Number:

1500225-39-7

Molecular Formula:

C12H15NO2S

Molecular Weight:

237.3180

MDL Number:

MFCD21761161

IUPAC Name:

3-[3-(hydroxymethyl)phenyl]sulfanyl-1-methylpyrrolidin-2-one

InChI:

InChI=1S/C12H15NO2S/c1-13-6-5-11(12(13)15)16-10-4-2-3-9(7-10)8-14/h2-4,7,11,14H,5-6,8H2,1H3

InChI Key:

RLJPEYKWXVXCED-UHFFFAOYSA-N

SMILES:

OCc1cccc(c1)SC1CCN(C1=O)C

Complexity:

259

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.317g/mol

Monoisotopic Mass:

237.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2