Timolol Impurity 16

CAT: 1596-AR-T05212-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T05212-02Size:25 Units

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

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CAS Number

214691-24-4

Molecular Formula

C6H9N3OS

Molecular Weight

171.22

API Name

Timolol

Chemical Information

4-(1,2,5-Thiadiazol-3-yl)morpholine

CAS Number	214691-24-4
PubChem CID	15388892
IUPAC Name	4-(1,2,5-thiadiazol-3-yl)morpholine
Molecular Formula	C6H9N3OS
Molecular Weight	171.22
XLogP	0.4
Topological Polar Surface Area	66.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	129

SMILES

C1COCCN1C2=NSN=C2

InChI

InChI=1S/C6H9N3OS/c1-3-10-4-2-9(1)6-5-7-11-8-6/h5H,1-4H2

InChIKey

KTFLPYIJWWZMQP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 214691-24-4

CID: 15388892

Formula: C6H9N3OS

MW: 171.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	171.22
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	171.04663309
Monoisotopic Mass	171.04663309
Topological Polar Surface Area	66.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	129
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