6-methoxypyridine-3-thiol

C6H7NOS — CID 23092602

IUPAC6-methoxypyridine-3-thiol
SMILESCOc1ccc(S)cn1
InChIInChI=1S/C6H7NOS/c1-8-6-3-2-5(9)4-7-6/h2-4,9H,1H3
InChIKeyXBWDJUAWQBEQNK-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.38
Rot. Bonds1

About 6-methoxypyridine-3-thiol

6-methoxypyridine-3-thiol (PubChem CID 23092602) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is 6-methoxypyridine-3-thiol.

Molecular Properties

Compound Name6-methoxypyridine-3-thiol
PubChem CID23092602
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name6-methoxypyridine-3-thiol
SMILESCOc1ccc(S)cn1
InChIInChI=1S/C6H7NOS/c1-8-6-3-2-5(9)4-7-6/h2-4,9H,1H3
InChIKeyXBWDJUAWQBEQNK-UHFFFAOYSA-N
XLogP1.38
TPSA22.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-Methoxypyridine
CID 74201
3-Methoxypyridine
CID 23719
6-Methoxy-3-pyridinylamine
CID 81121
Pyridine, 2-methoxy-4-(trifluoromethyl)-
CID 18539797
2-Ethoxypyridine
CID 84499
(2-Methoxypyridin-4-yl)methanamine
CID 16227983
Allyl 2-pyridyl ether
CID 79906
(6-Methoxypyridin-3-yl)boronic acid
CID 2734368
(2-Methoxypyridin-3-yl)boronic acid
CID 2762709
2-Methoxy-5-(trifluoromethyl)pyridine
CID 2775312
Butyl 2-pyridyl ether
CID 95701
5-Bromo-2-methoxypyridine
CID 2734895

Frequently Asked Questions

What is the IUPAC name of 6-methoxypyridine-3-thiol?
The IUPAC name of 6-methoxypyridine-3-thiol (CID 23092602) is 6-methoxypyridine-3-thiol.
What is the SMILES notation for 6-methoxypyridine-3-thiol?
The canonical SMILES for 6-methoxypyridine-3-thiol is COc1ccc(S)cn1.
What is the InChIKey of 6-methoxypyridine-3-thiol?
The InChIKey is XBWDJUAWQBEQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c1-8-6-3-2-5(9)4-7-6/h2-4,9H,1H3.
What are the key properties of 6-methoxypyridine-3-thiol?
6-methoxypyridine-3-thiol has a molecular weight of 141.19 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxypyridine-3-thiol is sourced from PubChem (CID 23092602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).