S-(5-methoxy-3-pyridinyl)thiohydroxylamine

C6H8N2OS — CID 134532168

IUPACS-(5-methoxy-3-pyridinyl)thiohydroxylamine
SMILESCOc1cncc(SN)c1
InChIInChI=1S/C6H8N2OS/c1-9-5-2-6(10-7)4-8-3-5/h2-4H,7H2,1H3
InChIKeyVGJJXSDZYRSUGD-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.06
Rot. Bonds2

About S-(5-methoxy-3-pyridinyl)thiohydroxylamine

S-(5-methoxy-3-pyridinyl)thiohydroxylamine (PubChem CID 134532168) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is S-(5-methoxy-3-pyridinyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(5-methoxy-3-pyridinyl)thiohydroxylamine
PubChem CID134532168
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC NameS-(5-methoxy-3-pyridinyl)thiohydroxylamine
SMILESCOc1cncc(SN)c1
InChIInChI=1S/C6H8N2OS/c1-9-5-2-6(10-7)4-8-3-5/h2-4H,7H2,1H3
InChIKeyVGJJXSDZYRSUGD-UHFFFAOYSA-N
XLogP1.06
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze S-(5-methoxy-3-pyridinyl)thiohydroxylamine 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

ethane;S-(5-methyl-3-pyridinyl)thiohydroxylamine
CID 166471410
3-tert-butyl-5-methoxypyridine
CID 21031507
N-[(5-methoxy-3-pyridinyl)methylidene]hydroxylamine
CID 57363090
(5-methoxy-3-pyridinyl)methylidenehydrazine
CID 69400382
ethane;5-methoxy-N-methylpyridin-3-amine
CID 168998921
N-fluoro-5-methoxypyridin-3-amine
CID 155111247
3-(dimethoxymethyl)-5-methoxypyridine
CID 45361740
3-[2-(disulfanyl)propan-2-yl]-5-methoxypyridine
CID 139548397
ethane;3-methoxy-5-(trifluoromethyl)pyridine
CID 176999703
(5-methoxy-3-pyridinyl)-(2,4,6-trifluorophenyl)methanamine
CID 105026146
3-(2-bromoethyl)-5-methoxypyridine
CID 22037882
3-methylsulfanyl-5-propan-2-yloxypyridine
CID 146035348

Frequently Asked Questions

What is the IUPAC name of S-(5-methoxy-3-pyridinyl)thiohydroxylamine?
The IUPAC name of S-(5-methoxy-3-pyridinyl)thiohydroxylamine (CID 134532168) is S-(5-methoxy-3-pyridinyl)thiohydroxylamine.
What is the SMILES notation for S-(5-methoxy-3-pyridinyl)thiohydroxylamine?
The canonical SMILES for S-(5-methoxy-3-pyridinyl)thiohydroxylamine is COc1cncc(SN)c1.
What is the InChIKey of S-(5-methoxy-3-pyridinyl)thiohydroxylamine?
The InChIKey is VGJJXSDZYRSUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-9-5-2-6(10-7)4-8-3-5/h2-4H,7H2,1H3.
What are the key properties of S-(5-methoxy-3-pyridinyl)thiohydroxylamine?
S-(5-methoxy-3-pyridinyl)thiohydroxylamine has a molecular weight of 156.21 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-(5-methoxy-3-pyridinyl)thiohydroxylamine is sourced from PubChem (CID 134532168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).