1,3-diethyl-4-methylpyridine-2-thione

C10H15NS — CID 87662768

IUPAC1,3-diethyl-4-methylpyridine-2-thione
SMILESCCc1c(C)ccn(CC)c1=S
InChIInChI=1S/C10H15NS/c1-4-9-8(3)6-7-11(5-2)10(9)12/h6-7H,4-5H2,1-3H3
InChIKeyDVOIRFBDWDNTHA-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.11
Rot. Bonds2

About 1,3-diethyl-4-methylpyridine-2-thione

1,3-diethyl-4-methylpyridine-2-thione (PubChem CID 87662768) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 1,3-diethyl-4-methylpyridine-2-thione.

Molecular Properties

Compound Name1,3-diethyl-4-methylpyridine-2-thione
PubChem CID87662768
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name1,3-diethyl-4-methylpyridine-2-thione
SMILESCCc1c(C)ccn(CC)c1=S
InChIInChI=1S/C10H15NS/c1-4-9-8(3)6-7-11(5-2)10(9)12/h6-7H,4-5H2,1-3H3
InChIKeyDVOIRFBDWDNTHA-UHFFFAOYSA-N
XLogP3.11
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-4-methylpyridine-2-thione?
The IUPAC name of 1,3-diethyl-4-methylpyridine-2-thione (CID 87662768) is 1,3-diethyl-4-methylpyridine-2-thione.
What is the SMILES notation for 1,3-diethyl-4-methylpyridine-2-thione?
The canonical SMILES for 1,3-diethyl-4-methylpyridine-2-thione is CCc1c(C)ccn(CC)c1=S.
What is the InChIKey of 1,3-diethyl-4-methylpyridine-2-thione?
The InChIKey is DVOIRFBDWDNTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-4-9-8(3)6-7-11(5-2)10(9)12/h6-7H,4-5H2,1-3H3.
What are the key properties of 1,3-diethyl-4-methylpyridine-2-thione?
1,3-diethyl-4-methylpyridine-2-thione has a molecular weight of 181.30 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-4-methylpyridine-2-thione is sourced from PubChem (CID 87662768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).