Febuxostat Impurity 41

CAT: 1299-RM-F022467-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-F022467-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

138330-01-5

Synonyms

4- (4-methylthiazol-2-yl) phenol

Molecular Formula

C10H9NOS

Molecular Weight

191.25

Target Alternative Name

Febuxostat

Product Name Synonym

4- (4-methylthiazol-2-yl) phenol

Chemical Information

4-(4-Methyl-1,3-thiazol-2-yl)phenol

CAS Number	138330-01-5
PubChem CID	4962900
IUPAC Name	4-(4-methyl-1,3-thiazol-2-yl)phenol
Molecular Formula	C10H9NOS
Molecular Weight	191.25
XLogP	2.7
Topological Polar Surface Area	61.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	168

SMILES

CC1=CSC(=N1)C2=CC=C(C=C2)O

InChI

InChI=1S/C10H9NOS/c1-7-6-13-10(11-7)8-2-4-9(12)5-3-8/h2-6,12H,1H3

InChIKey

KYCMBRIDHHFYQX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 138330-01-5

CID: 4962900

Formula: C10H9NOS

MW: 191.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	191.25
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	191.04048508
Monoisotopic Mass	191.04048508
Topological Polar Surface Area	61.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	168
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes