5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine

Name: 5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₇H₁₃NS — CID 142155613

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine

SMILESCSC1=C(C)CNCC1

InChIInChI=1S/C7H13NS/c1-6-5-8-4-3-7(6)9-2/h8H,3-5H2,1-2H3

InChIKeyHTHPPJWFRRJBBG-UHFFFAOYSA-N

MW143.25 g/mol

LogP1.62

Rot. Bonds1

About 5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine

5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine (PubChem CID 142155613) has the molecular formula C₇H₁₃NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name	5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
PubChem CID	142155613
Molecular Formula	C₇H₁₃NS
Molecular Weight	143.25 g/mol
Exact Mass	143.08
IUPAC Name	5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
SMILES	CSC1=C(C)CNCC1
InChI	InChI=1S/C7H13NS/c1-6-5-8-4-3-7(6)9-2/h8H,3-5H2,1-2H3
InChIKey	HTHPPJWFRRJBBG-UHFFFAOYSA-N
XLogP	1.62
TPSA	12.03 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	9
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	143.25
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?

The IUPAC name of 5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine (CID 142155613) is 5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine.

What is the SMILES notation for 5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?

The canonical SMILES for 5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine is CSC1=C(C)CNCC1.

What is the InChIKey of 5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?

The InChIKey is HTHPPJWFRRJBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-6-5-8-4-3-7(6)9-2/h8H,3-5H2,1-2H3.

What are the key properties of 5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine?

5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine has a molecular weight of 143.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 142155613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 142155613 — identifiers, structure, computed properties (public domain)

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