4,6-dimethyl-1,3-dipropylpyridine-2-thione

C13H21NS — CID 87663549

IUPAC4,6-dimethyl-1,3-dipropylpyridine-2-thione
SMILESCCCc1c(C)cc(C)n(CCC)c1=S
InChIInChI=1S/C13H21NS/c1-5-7-12-10(3)9-11(4)14(8-6-2)13(12)15/h9H,5-8H2,1-4H3
InChIKeyQYSZUROXEKFNCS-UHFFFAOYSA-N
MW223.38 g/mol
LogP4.20
Rot. Bonds4

About 4,6-dimethyl-1,3-dipropylpyridine-2-thione

4,6-dimethyl-1,3-dipropylpyridine-2-thione (PubChem CID 87663549) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 4,6-dimethyl-1,3-dipropylpyridine-2-thione.

Molecular Properties

Compound Name4,6-dimethyl-1,3-dipropylpyridine-2-thione
PubChem CID87663549
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name4,6-dimethyl-1,3-dipropylpyridine-2-thione
SMILESCCCc1c(C)cc(C)n(CCC)c1=S
InChIInChI=1S/C13H21NS/c1-5-7-12-10(3)9-11(4)14(8-6-2)13(12)15/h9H,5-8H2,1-4H3
InChIKeyQYSZUROXEKFNCS-UHFFFAOYSA-N
XLogP4.20
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 54.20
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 4,6-dimethyl-1,3-dipropylpyridine-2-thione?
The IUPAC name of 4,6-dimethyl-1,3-dipropylpyridine-2-thione (CID 87663549) is 4,6-dimethyl-1,3-dipropylpyridine-2-thione.
What is the SMILES notation for 4,6-dimethyl-1,3-dipropylpyridine-2-thione?
The canonical SMILES for 4,6-dimethyl-1,3-dipropylpyridine-2-thione is CCCc1c(C)cc(C)n(CCC)c1=S.
What is the InChIKey of 4,6-dimethyl-1,3-dipropylpyridine-2-thione?
The InChIKey is QYSZUROXEKFNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-5-7-12-10(3)9-11(4)14(8-6-2)13(12)15/h9H,5-8H2,1-4H3.
What are the key properties of 4,6-dimethyl-1,3-dipropylpyridine-2-thione?
4,6-dimethyl-1,3-dipropylpyridine-2-thione has a molecular weight of 223.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,3-dipropylpyridine-2-thione is sourced from PubChem (CID 87663549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).