Timolol Impurity 5

CAT: 1596-AR-T05203-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T05203-02Size:25 Units

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

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CAS Number

158636-99-8

Synonyms

4- (4- (Tert-butoxy) -1,2,5-thiadiazol-3-yl) morpholine

Molecular Formula

C10H17N3O2S

Molecular Weight

243.33

API Name

Timolol

Chemical Information

V5B25D9ER9

CAS Number	158636-99-8
PubChem CID	166177300
IUPAC Name	4-[4-[(2-methylpropan-2-yl)oxy]-1,2,5-thiadiazol-3-yl]morpholine
Molecular Formula	C10H17N3O2S
Molecular Weight	243.33
XLogP	2.9
Topological Polar Surface Area	75.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	229

SMILES

CC(C)(C)OC1=NSN=C1N2CCOCC2

InChI

InChI=1S/C10H17N3O2S/c1-10(2,3)15-9-8(11-16-12-9)13-4-6-14-7-5-13/h4-7H2,1-3H3

InChIKey

KMUGSNSAFPXHSH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 158636-99-8

CID: 166177300

Formula: C10H17N3O2S

MW: 243.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	243.33
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	243.10414797
Monoisotopic Mass	243.10414797
Topological Polar Surface Area	75.7 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	229
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