CAS 3884-31-9 | 4-Phenylthiazol-2(3H)-one | CAS Number 3884-31-9

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3884-31-9 | 4-Phenylthiazol-2(3H)-one

CAS No: 3884-31-9 Catalog No: AG00781B MDL No:MFCD00665954

Product Description

Catalog Number:

AG00781B

Chemical Name:

4-Phenylthiazol-2(3H)-one

CAS Number:

3884-31-9

Molecular Formula:

C9H7NOS

Molecular Weight:

177.2230

MDL Number:

MFCD00665954

IUPAC Name:

4-phenyl-3H-1,3-thiazol-2-one

InChI:

InChI=1S/C9H7NOS/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)

InChI Key:

UXIWLHNMLDJWMF-UHFFFAOYSA-N

SMILES:

O=c1scc([nH]1)c1ccccc1

Properties

Complexity:

219

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

177.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

177.221g/mol

Monoisotopic Mass:

177.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
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