Timolol Impurity 13

CAT: 1596-AR-T05209-06Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T05209-06Size:250 Units

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

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CAS Number

741719-53-9

Molecular Formula

C9H13N3O3S

Molecular Weight

243.28

API Name

Timolol

Chemical Information

AG-G-94598

CAS Number	741719-53-9
PubChem CID	11390874
IUPAC Name	4-[4-[[(2R)-oxiran-2-yl]methoxy]-1,2,5-thiadiazol-3-yl]morpholine
Molecular Formula	C9H13N3O3S
Molecular Weight	243.29
XLogP	1.6
Topological Polar Surface Area	88.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	240

SMILES

C1COCCN1C2=NSN=C2OC[C@H]3CO3

InChI

InChI=1S/C9H13N3O3S/c1-3-13-4-2-12(1)8-9(11-16-10-8)15-6-7-5-14-7/h7H,1-6H2/t7-/m1/s1

InChIKey

ZGZYFNICRHUUGD-SSDOTTSWSA-N

Chemical Structure

2D Structure

CAS: 741719-53-9

CID: 11390874

Formula: C9H13N3O3S

MW: 243.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	243.29
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	243.06776246
Monoisotopic Mass	243.06776246
Topological Polar Surface Area	88.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	240
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes