Name: Name:3-[(2-amino-4-chlorophenyl)sulfanyl]-1-methylpyrrolidin-2-one
Brand: Angene
SKU: AG01BBIG
Rating: 90 (10 reviews)

3-[(2-amino-4-chlorophenyl)sulfanyl]-1-methylpyrrolidin-2-one

CAS No.:

1339603-01-8

Catalog Number:

AG01BBIG

Molecular Formula:

C11H13ClN2OS

Molecular Weight:

256.7517

Catalog Number:

AG01BBIG

Chemical Name:

3-[(2-amino-4-chlorophenyl)sulfanyl]-1-methylpyrrolidin-2-one

CAS Number:

1339603-01-8

Molecular Formula:

C11H13ClN2OS

Molecular Weight:

256.7517

MDL Number:

MFCD20285096

IUPAC Name:

3-(2-amino-4-chlorophenyl)sulfanyl-1-methylpyrrolidin-2-one

InChI:

InChI=1S/C11H13ClN2OS/c1-14-5-4-10(11(14)15)16-9-3-2-7(12)6-8(9)13/h2-3,6,10H,4-5,13H2,1H3

InChI Key:

WZJKWHOSMCCODK-UHFFFAOYSA-N

SMILES:

Clc1ccc(c(c1)N)SC1CCN(C1=O)C

Complexity:

277

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

256.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

256.748g/mol

Monoisotopic Mass:

256.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1