S-isoquinolin-8-ylthiohydroxylamine

C9H8N2S — CID 145138115

IUPACS-isoquinolin-8-ylthiohydroxylamine
SMILESNSc1cccc2ccncc12
InChIInChI=1S/C9H8N2S/c10-12-9-3-1-2-7-4-5-11-6-8(7)9/h1-6H,10H2
InChIKeyUOBUIKGVARCHKR-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.20
Rot. Bonds1

About S-isoquinolin-8-ylthiohydroxylamine

S-isoquinolin-8-ylthiohydroxylamine (PubChem CID 145138115) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is S-isoquinolin-8-ylthiohydroxylamine.

Molecular Properties

Compound NameS-isoquinolin-8-ylthiohydroxylamine
PubChem CID145138115
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC NameS-isoquinolin-8-ylthiohydroxylamine
SMILESNSc1cccc2ccncc12
InChIInChI=1S/C9H8N2S/c10-12-9-3-1-2-7-4-5-11-6-8(7)9/h1-6H,10H2
InChIKeyUOBUIKGVARCHKR-UHFFFAOYSA-N
XLogP2.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

isoquinolin-8-ol
CID 135441711
isoquinolin-8-ylmethanamine;dihydrochloride
CID 42614394
2,9-phenanthroline
CID 23271029
2-amino-2-isoquinolin-5-ylethanol
CID 55271452
isoquinolin-8-yl-(4-methyl-3-pyridinyl)methanamine
CID 103143849
isoquinolin-8-yl(pyridin-3-yl)methanamine
CID 103137345
1-isoquinolin-8-yl-2-phenylsulfanylethanamine
CID 103137237
3-isoquinolin-8-yl-5,6-dimethylpyrazin-2-amine
CID 103144312
1-isoquinolin-8-ylimidazol-2-amine
CID 106577064
ethyl 2,3-dihydroxy-3-isoquinolin-8-ylpropanoate
CID 171866326
2,2-difluoro-1-isoquinolin-8-ylethanone
CID 103143371
4-isoquinolin-8-ylbutan-1-amine
CID 82577641

Frequently Asked Questions

What is the IUPAC name of S-isoquinolin-8-ylthiohydroxylamine?
The IUPAC name of S-isoquinolin-8-ylthiohydroxylamine (CID 145138115) is S-isoquinolin-8-ylthiohydroxylamine.
What is the SMILES notation for S-isoquinolin-8-ylthiohydroxylamine?
The canonical SMILES for S-isoquinolin-8-ylthiohydroxylamine is NSc1cccc2ccncc12.
What is the InChIKey of S-isoquinolin-8-ylthiohydroxylamine?
The InChIKey is UOBUIKGVARCHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c10-12-9-3-1-2-7-4-5-11-6-8(7)9/h1-6H,10H2.
What are the key properties of S-isoquinolin-8-ylthiohydroxylamine?
S-isoquinolin-8-ylthiohydroxylamine has a molecular weight of 176.24 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-isoquinolin-8-ylthiohydroxylamine is sourced from PubChem (CID 145138115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).