4-methoxypyridine-3-thiolate

C6H6NOS- — CID 156636966

IUPAC4-methoxypyridine-3-thiolate
SMILESCOc1ccncc1[S-]
InChIInChI=1S/C6H7NOS/c1-8-5-2-3-7-4-6(5)9/h2-4,9H,1H3/p-1
InChIKeyPFOLWZYBUDOLJE-UHFFFAOYSA-M
MW140.19 g/mol
LogP1.00
Rot. Bonds1

About 4-methoxypyridine-3-thiolate

4-methoxypyridine-3-thiolate (PubChem CID 156636966) has the molecular formula C6H6NOS- and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-methoxypyridine-3-thiolate.

Molecular Properties

Compound Name4-methoxypyridine-3-thiolate
PubChem CID156636966
Molecular FormulaC6H6NOS-
Molecular Weight140.19 g/mol
Exact Mass140.02
IUPAC Name4-methoxypyridine-3-thiolate
SMILESCOc1ccncc1[S-]
InChIInChI=1S/C6H7NOS/c1-8-5-2-3-7-4-6(5)9/h2-4,9H,1H3/p-1
InChIKeyPFOLWZYBUDOLJE-UHFFFAOYSA-M
XLogP1.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

4-methoxypyridin-3-amine;dihydrochloride
CID 163333119
3-methoxy-4-propan-2-yloxypyridine
CID 167334924
3-ethenyl-4-methoxypyridine
CID 56972695
3-(iodomethyl)-4-methoxypyridine
CID 130559780
2-(4-methoxy-3-pyridinyl)propan-2-ol
CID 115009163
2-(4-methoxy-3-pyridinyl)-5-methylpyridine
CID 91514165
4-methoxypyridine-3-carboxylate
CID 26119064
ethane;4-methoxy-3-propylpyridine
CID 176962232
formic acid;4-methoxypyridine-3-carboxamide
CID 67982292
1-(4-methoxy-3-pyridinyl)propane-1,2-diol
CID 130565658
methoxymethane;4-methoxy-3-nitropyridine
CID 155689380
3-(3,4-dimethoxyphenyl)-4-methoxypyridine
CID 71341978

Frequently Asked Questions

What is the IUPAC name of 4-methoxypyridine-3-thiolate?
The IUPAC name of 4-methoxypyridine-3-thiolate (CID 156636966) is 4-methoxypyridine-3-thiolate.
What is the SMILES notation for 4-methoxypyridine-3-thiolate?
The canonical SMILES for 4-methoxypyridine-3-thiolate is COc1ccncc1[S-].
What is the InChIKey of 4-methoxypyridine-3-thiolate?
The InChIKey is PFOLWZYBUDOLJE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7NOS/c1-8-5-2-3-7-4-6(5)9/h2-4,9H,1H3/p-1.
What are the key properties of 4-methoxypyridine-3-thiolate?
4-methoxypyridine-3-thiolate has a molecular weight of 140.19 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypyridine-3-thiolate is sourced from PubChem (CID 156636966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).