Name: Name:2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]benzoic acid
Brand: Angene
SKU: AG019J8J
Rating: 90 (10 reviews)

2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]benzoic acid

CAS No.:

733795-46-5

Catalog Number:

AG019J8J

Molecular Formula:

C15H11NO3S

Molecular Weight:

285.3177

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Product Description

Catalog Number:

AG019J8J

Chemical Name:

2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]benzoic acid

CAS Number:

733795-46-5

Molecular Formula:

C15H11NO3S

Molecular Weight:

285.3177

MDL Number:

MFCD04636900

IUPAC Name:

2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoic acid

InChI:

InChI=1S/C15H11NO3S/c17-14(18)11-6-2-1-5-10(11)9-20-15-16-12-7-3-4-8-13(12)19-15/h1-8H,9H2,(H,17,18)

InChI Key:

UIUXINYILGLYBR-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccccc1CSc1nc2c(o1)cccc2

Properties

Complexity:

352

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.317g/mol

Monoisotopic Mass:

285.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

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