Tiprenolol

CAT: 0127-BUP08444-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08444-02Size:10 mg

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

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CAS Number

26481-51-6

Purity

=95%

Smiles

O(CC(CNC(C)C)O)C1=C(SC)C=CC=C1

Chemical Information

Tiprenolol

RN given refers to parent cpd without isomeric designation; structure

CAS Number	26481-51-6
PubChem CID	38353
IUPAC Name	1-(2-methylsulfanylphenoxy)-3-(propan-2-ylamino)propan-2-ol
Molecular Formula	C13H21NO2S
Molecular Weight	255.38
XLogP	2.2
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	17
Formal Charge	0
Complexity	202

SMILES

CC(C)NCC(COC1=CC=CC=C1SC)O

InChI

InChI=1S/C13H21NO2S/c1-10(2)14-8-11(15)9-16-12-6-4-5-7-13(12)17-3/h4-7,10-11,14-15H,8-9H2,1-3H3

InChIKey

CSUNLSYSEQIDMO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26481-51-6

CID: 38353

Formula: C13H21NO2S

MW: 255.38

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.38
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	255.12930009
Monoisotopic Mass	255.12930009
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	202
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes