O-methyl 3-methylpyridine-2-carbothioate

C8H9NOS — CID 139794295

IUPACO-methyl 3-methylpyridine-2-carbothioate
SMILESCOC(=S)c1ncccc1C
InChIInChI=1S/C8H9NOS/c1-6-4-3-5-9-7(6)8(11)10-2/h3-5H,1-2H3
InChIKeyUTGUDGWXPNSFBN-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.71
Rot. Bonds1

About O-methyl 3-methylpyridine-2-carbothioate

O-methyl 3-methylpyridine-2-carbothioate (PubChem CID 139794295) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is O-methyl 3-methylpyridine-2-carbothioate.

Molecular Properties

Compound NameO-methyl 3-methylpyridine-2-carbothioate
PubChem CID139794295
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC NameO-methyl 3-methylpyridine-2-carbothioate
SMILESCOC(=S)c1ncccc1C
InChIInChI=1S/C8H9NOS/c1-6-4-3-5-9-7(6)8(11)10-2/h3-5H,1-2H3
InChIKeyUTGUDGWXPNSFBN-UHFFFAOYSA-N
XLogP1.71
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
O-methyl 2-methylpyridine-3-carbothioate
CID 54538042
2-(3-chlorobut-2-en-2-yl)-3-methylpyridine
CID 123781383
3-methylpyridine-2-carboxylic acid;oxygen(2-);vanadium(4+)
CID 10058713
N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62339475
methoxymethane;3-methylpyridin-2-amine
CID 142348172
1-(3-methyl-2-pyridinyl)ethanimine
CID 91362757
N'-amino-3-methylpyridine-2-carboximidamide
CID 69377303
2-(3-methyl-2-pyridinyl)-2-oxoacetaldehyde
CID 130026238
methyl 2-hydroxy-3-[(3-methylpyridine-2-carbonyl)amino]propanoate
CID 113358708
ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate
CID 53419388
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121

Frequently Asked Questions

What is the IUPAC name of O-methyl 3-methylpyridine-2-carbothioate?
The IUPAC name of O-methyl 3-methylpyridine-2-carbothioate (CID 139794295) is O-methyl 3-methylpyridine-2-carbothioate.
What is the SMILES notation for O-methyl 3-methylpyridine-2-carbothioate?
The canonical SMILES for O-methyl 3-methylpyridine-2-carbothioate is COC(=S)c1ncccc1C.
What is the InChIKey of O-methyl 3-methylpyridine-2-carbothioate?
The InChIKey is UTGUDGWXPNSFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c1-6-4-3-5-9-7(6)8(11)10-2/h3-5H,1-2H3.
What are the key properties of O-methyl 3-methylpyridine-2-carbothioate?
O-methyl 3-methylpyridine-2-carbothioate has a molecular weight of 167.23 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-methyl 3-methylpyridine-2-carbothioate is sourced from PubChem (CID 139794295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).