Chemical Properties of Timolol (CAS 91524-16-2)

InChI

InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3

InChI Key

BLJRIMJGRPQVNF-UHFFFAOYSA-N

Formula

C13H24N4O3S

SMILES

CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1

Molecular Weight¹

316.42

CAS

91524-16-2

Other Names

• 2-Propanol, 1-[(1,1-dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-, hemihydrate, (S)-
• (S)-1-(tert-Butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]-2-propanol hemihydrate

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-1.80		Crippen Calculated Property
logPoct/wat	0.503		Crippen Calculated Property
McVol	237.590	ml/mol	McGowan Calculated Property
Inp	[2262.00; 2290.00]
Inp	2290.00		NIST
Inp	2285.00		NIST
Inp	2262.00		NIST
Inp	2285.00		NIST

Similar Compounds

Find more compounds similar to Timolol.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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