Name: Name:2-({[(2-methoxyethyl)carbamoyl]methyl}sulfanyl)benzoic acid
Brand: Angene
SKU: AG019OZP
Rating: 90 (10 reviews)

2-({[(2-methoxyethyl)carbamoyl]methyl}sulfanyl)benzoic acid

CAS No.:

795290-99-2

Catalog Number:

AG019OZP

Molecular Formula:

C12H15NO4S

Molecular Weight:

269.3168

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Product Description

Catalog Number:

AG019OZP

Chemical Name:

2-({[(2-methoxyethyl)carbamoyl]methyl}sulfanyl)benzoic acid

CAS Number:

795290-99-2

Molecular Formula:

C12H15NO4S

Molecular Weight:

269.3168

MDL Number:

MFCD06368764

IUPAC Name:

2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoic acid

InChI:

InChI=1S/C12H15NO4S/c1-17-7-6-13-11(14)8-18-10-5-3-2-4-9(10)12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)

InChI Key:

GAOPNWVXKCJECB-UHFFFAOYSA-N

SMILES:

COCCNC(=O)CSc1ccccc1C(=O)O

Properties

Complexity:

285

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

269.315g/mol

Monoisotopic Mass:

269.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501