3-chloro-2-methylsulfanylpyridine

C6H6ClNS — CID 13433412

IUPAC3-chloro-2-methylsulfanylpyridine
SMILESCSc1ncccc1Cl
InChIInChI=1S/C6H6ClNS/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3
InChIKeyWGGXTBMWWROJGF-UHFFFAOYSA-N
MW159.64 g/mol
LogP2.46
Rot. Bonds1

About 3-chloro-2-methylsulfanylpyridine

3-chloro-2-methylsulfanylpyridine (PubChem CID 13433412) has the molecular formula C6H6ClNS and a molecular weight of 159.64 g/mol. Its IUPAC name is 3-chloro-2-methylsulfanylpyridine.

Molecular Properties

Compound Name3-chloro-2-methylsulfanylpyridine
PubChem CID13433412
Molecular FormulaC6H6ClNS
Molecular Weight159.64 g/mol
Exact Mass158.99
IUPAC Name3-chloro-2-methylsulfanylpyridine
SMILESCSc1ncccc1Cl
InChIInChI=1S/C6H6ClNS/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3
InChIKeyWGGXTBMWWROJGF-UHFFFAOYSA-N
XLogP2.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.64
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methylsulfanylpyridine?
The IUPAC name of 3-chloro-2-methylsulfanylpyridine (CID 13433412) is 3-chloro-2-methylsulfanylpyridine.
What is the SMILES notation for 3-chloro-2-methylsulfanylpyridine?
The canonical SMILES for 3-chloro-2-methylsulfanylpyridine is CSc1ncccc1Cl.
What is the InChIKey of 3-chloro-2-methylsulfanylpyridine?
The InChIKey is WGGXTBMWWROJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNS/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3.
What are the key properties of 3-chloro-2-methylsulfanylpyridine?
3-chloro-2-methylsulfanylpyridine has a molecular weight of 159.64 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methylsulfanylpyridine is sourced from PubChem (CID 13433412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).