1-isoquinolin-8-yl-2-phenylsulfanylethanol

C17H15NOS — CID 103139302

IUPAC1-isoquinolin-8-yl-2-phenylsulfanylethanol
SMILESOC(CSc1ccccc1)c1cccc2ccncc12
InChIInChI=1S/C17H15NOS/c19-17(12-20-14-6-2-1-3-7-14)15-8-4-5-13-9-10-18-11-16(13)15/h1-11,17,19H,12H2
InChIKeyYEDVFZROWGFRQF-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.06
Rot. Bonds4

About 1-isoquinolin-8-yl-2-phenylsulfanylethanol

1-isoquinolin-8-yl-2-phenylsulfanylethanol (PubChem CID 103139302) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-2-phenylsulfanylethanol.

Molecular Properties

Compound Name1-isoquinolin-8-yl-2-phenylsulfanylethanol
PubChem CID103139302
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name1-isoquinolin-8-yl-2-phenylsulfanylethanol
SMILESOC(CSc1ccccc1)c1cccc2ccncc12
InChIInChI=1S/C17H15NOS/c19-17(12-20-14-6-2-1-3-7-14)15-8-4-5-13-9-10-18-11-16(13)15/h1-11,17,19H,12H2
InChIKeyYEDVFZROWGFRQF-UHFFFAOYSA-N
XLogP4.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-isoquinolin-8-yl-2-phenylsulfanylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)sulfanyl-1-isoquinolin-8-ylethanol
CID 103143448
2-(3-fluorophenyl)sulfanyl-1-isoquinolin-8-ylethanol
CID 103143443
1-isoquinolin-8-yl-2-phenylsulfanylethanamine
CID 103137237
1-isoquinolin-5-yl-2-(3-methylphenyl)sulfanylethanol
CID 66087167
2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanol
CID 103143427
(1-isoquinolin-5-yl-2-phenylsulfanylethyl)hydrazine
CID 105228188
1-isoquinolin-8-ylpentan-1-ol
CID 103138987
1-isoquinolin-8-yl-2-phenylbutan-1-ol
CID 103139135
1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol
CID 103139145
2-phenylsulfanyl-1-(2-phenylsulfanylphenyl)ethanol
CID 101079364
2-hydroxy-1-isoquinolin-8-yl-2-phenylethanone
CID 103458218
(4-chlorophenyl)-isoquinolin-8-ylmethanol
CID 103139329

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-2-phenylsulfanylethanol?
The IUPAC name of 1-isoquinolin-8-yl-2-phenylsulfanylethanol (CID 103139302) is 1-isoquinolin-8-yl-2-phenylsulfanylethanol.
What is the SMILES notation for 1-isoquinolin-8-yl-2-phenylsulfanylethanol?
The canonical SMILES for 1-isoquinolin-8-yl-2-phenylsulfanylethanol is OC(CSc1ccccc1)c1cccc2ccncc12.
What is the InChIKey of 1-isoquinolin-8-yl-2-phenylsulfanylethanol?
The InChIKey is YEDVFZROWGFRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c19-17(12-20-14-6-2-1-3-7-14)15-8-4-5-13-9-10-18-11-16(13)15/h1-11,17,19H,12H2.
What are the key properties of 1-isoquinolin-8-yl-2-phenylsulfanylethanol?
1-isoquinolin-8-yl-2-phenylsulfanylethanol has a molecular weight of 281.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-yl-2-phenylsulfanylethanol is sourced from PubChem (CID 103139302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).