ethane;1-methylpyridine-4-thione

C10H19NS — CID 90803615

IUPACethane;1-methylpyridine-4-thione
SMILESCC.CC.Cn1ccc(=S)cc1
InChIInChI=1S/C6H7NS.2C2H6/c1-7-4-2-6(8)3-5-7;2*1-2/h2-5H,1H3;2*1-2H3
InChIKeyPAOIYRRIRSIMHA-UHFFFAOYSA-N
MW185.34 g/mol
LogP3.81
Rot. Bonds

About ethane;1-methylpyridine-4-thione

ethane;1-methylpyridine-4-thione (PubChem CID 90803615) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is ethane;1-methylpyridine-4-thione.

Molecular Properties

Compound Nameethane;1-methylpyridine-4-thione
PubChem CID90803615
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Nameethane;1-methylpyridine-4-thione
SMILESCC.CC.Cn1ccc(=S)cc1
InChIInChI=1S/C6H7NS.2C2H6/c1-7-4-2-6(8)3-5-7;2*1-2/h2-5H,1H3;2*1-2H3
InChIKeyPAOIYRRIRSIMHA-UHFFFAOYSA-N
XLogP3.81
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methylpyridine-4(1H)-thione
CID 522324
1-(2-Fluoroethyl)pyridine-4-thione
CID 14125537
4(1H)-Pyridinethione, 1-(2-propenyl)-
CID 11094811
(E)-1-(diethylamino)but-1-ene-1-thiolate
CID 134893822
1-Methyl-4(1H)-pyridinethione
CID 139058419
2-Fluoro-1-methylpyridine-4-thione
CID 9812800
3-Fluoro-1-methylpyridine-4-thione
CID 9898855
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-Tert-butylpyridine-4-thione
CID 15398704
(E)-1-(dimethylamino)hex-1-ene-3-thione
CID 21718239

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylpyridine-4-thione?
The IUPAC name of ethane;1-methylpyridine-4-thione (CID 90803615) is ethane;1-methylpyridine-4-thione.
What is the SMILES notation for ethane;1-methylpyridine-4-thione?
The canonical SMILES for ethane;1-methylpyridine-4-thione is CC.CC.Cn1ccc(=S)cc1.
What is the InChIKey of ethane;1-methylpyridine-4-thione?
The InChIKey is PAOIYRRIRSIMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS.2C2H6/c1-7-4-2-6(8)3-5-7;2*1-2/h2-5H,1H3;2*1-2H3.
What are the key properties of ethane;1-methylpyridine-4-thione?
ethane;1-methylpyridine-4-thione has a molecular weight of 185.34 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylpyridine-4-thione is sourced from PubChem (CID 90803615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).