1,3,4-trimethylpyridine-2-thione

C8H11NS — CID 87663180

IUPAC1,3,4-trimethylpyridine-2-thione
SMILESCc1ccn(C)c(=S)c1C
InChIInChI=1S/C8H11NS/c1-6-4-5-9(3)8(10)7(6)2/h4-5H,1-3H3
InChIKeyRLELFJHIKMNOBS-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.37
Rot. Bonds

About 1,3,4-trimethylpyridine-2-thione

1,3,4-trimethylpyridine-2-thione (PubChem CID 87663180) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 1,3,4-trimethylpyridine-2-thione.

Molecular Properties

Compound Name1,3,4-trimethylpyridine-2-thione
PubChem CID87663180
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name1,3,4-trimethylpyridine-2-thione
SMILESCc1ccn(C)c(=S)c1C
InChIInChI=1S/C8H11NS/c1-6-4-5-9(3)8(10)7(6)2/h4-5H,1-3H3
InChIKeyRLELFJHIKMNOBS-UHFFFAOYSA-N
XLogP2.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.37
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

1,3-Dimethyl-2(1H)-pyridinethione
CID 587238
2(1H)-Pyridinethione, 1-propyl-
CID 573929
1,5-Dimethyl-2(1H)-pyridinethione
CID 587011
1,4-Dimethyl-2(1H)-pyridinethione
CID 587012
(2Z)-N,N-diethyl-2,3-dimethylpenta-2,4-dienethioamide
CID 134921720
2(1H)-Pyridinethione, 1-ethyl-4-methyl-
CID 592682
Dsoypehinjbjac-uhfffaoysa-
CID 12607222
3-ethenyl-1-methyl-2H-pyridine
CID 17846906
1,4,5-Trimethylpyridine-2-thione
CID 20734754
3-Ethenyl-1-propan-2-ylpyridine-2-thione
CID 20785726
1,3-Diethyl-4-methylpyridine-2-thione
CID 87662768
3-Methyl-1-propan-2-ylpyridine-2-thione
CID 89002139

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trimethylpyridine-2-thione?
The IUPAC name of 1,3,4-trimethylpyridine-2-thione (CID 87663180) is 1,3,4-trimethylpyridine-2-thione.
What is the SMILES notation for 1,3,4-trimethylpyridine-2-thione?
The canonical SMILES for 1,3,4-trimethylpyridine-2-thione is Cc1ccn(C)c(=S)c1C.
What is the InChIKey of 1,3,4-trimethylpyridine-2-thione?
The InChIKey is RLELFJHIKMNOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-6-4-5-9(3)8(10)7(6)2/h4-5H,1-3H3.
What are the key properties of 1,3,4-trimethylpyridine-2-thione?
1,3,4-trimethylpyridine-2-thione has a molecular weight of 153.25 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trimethylpyridine-2-thione is sourced from PubChem (CID 87663180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).