Name: Name:2-(benzylsulfanyl)-1,3-oxazole-4-carboxylic acid
Brand: Angene
SKU: AG01B70B
Rating: 90 (10 reviews)

2-(benzylsulfanyl)-1,3-oxazole-4-carboxylic acid

CAS No.:

1564705-28-7

Catalog Number:

AG01B70B

Molecular Formula:

C11H9NO3S

Molecular Weight:

235.2591

Catalog Number:

AG01B70B

Chemical Name:

2-(benzylsulfanyl)-1,3-oxazole-4-carboxylic acid

CAS Number:

1564705-28-7

Molecular Formula:

C11H9NO3S

Molecular Weight:

235.2591

MDL Number:

MFCD26827869

IUPAC Name:

2-benzylsulfanyl-1,3-oxazole-4-carboxylic acid

InChI:

InChI=1S/C11H9NO3S/c13-10(14)9-6-15-11(12-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14)

InChI Key:

PAERXEPSLUMGEP-UHFFFAOYSA-N

SMILES:

OC(=O)c1coc(n1)SCc1ccccc1

Complexity:

243

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

235.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

235.257g/mol

Monoisotopic Mass:

235.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5