1-methyl-4H-pyridine-3-thiol

C6H9NS — CID 143812635

IUPAC1-methyl-4H-pyridine-3-thiol
SMILESCN1C=CCC(S)=C1
InChIInChI=1S/C6H9NS/c1-7-4-2-3-6(8)5-7/h2,4-5,8H,3H2,1H3
InChIKeyMJSBZRKVGACZHX-UHFFFAOYSA-N
MW127.21 g/mol
LogP1.61
Rot. Bonds

About 1-methyl-4H-pyridine-3-thiol

1-methyl-4H-pyridine-3-thiol (PubChem CID 143812635) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 1-methyl-4H-pyridine-3-thiol.

Molecular Properties

Compound Name1-methyl-4H-pyridine-3-thiol
PubChem CID143812635
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name1-methyl-4H-pyridine-3-thiol
SMILESCN1C=CCC(S)=C1
InChIInChI=1S/C6H9NS/c1-7-4-2-3-6(8)5-7/h2,4-5,8H,3H2,1H3
InChIKeyMJSBZRKVGACZHX-UHFFFAOYSA-N
XLogP1.61
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methylpyridine-4(1H)-thione
CID 522324
Pyridine, 1,4-dihydro-1-methyl-
CID 141818
1-ethyl-4H-pyridine
CID 12220925
1,4-Dihydropyridine methylthiomethyl ester
CID 17913994
4(1H)-Pyridinethione, 1-(2-propenyl)-
CID 11094811
(2-Mercapto-1-propenyl)di(1-propenyl)amine
CID 129763378
1-Ethyl-2-fluoropyridine-4-thione
CID 9898893
1-Ethyl-3-fluoropyridine-4-thione
CID 9898894
(E)-4-(dimethylamino)but-3-ene-2-thione
CID 15179161
1-ethylpyridine-4(1H)-thione
CID 14302455
4H-pyridin-1-ylmethanethiol
CID 22156944
1,3-Dimethylpyridine-4-thione
CID 59585191

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4H-pyridine-3-thiol?
The IUPAC name of 1-methyl-4H-pyridine-3-thiol (CID 143812635) is 1-methyl-4H-pyridine-3-thiol.
What is the SMILES notation for 1-methyl-4H-pyridine-3-thiol?
The canonical SMILES for 1-methyl-4H-pyridine-3-thiol is CN1C=CCC(S)=C1.
What is the InChIKey of 1-methyl-4H-pyridine-3-thiol?
The InChIKey is MJSBZRKVGACZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-7-4-2-3-6(8)5-7/h2,4-5,8H,3H2,1H3.
What are the key properties of 1-methyl-4H-pyridine-3-thiol?
1-methyl-4H-pyridine-3-thiol has a molecular weight of 127.21 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4H-pyridine-3-thiol is sourced from PubChem (CID 143812635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).