2-methylsulfanylpyridine

C6H7NS — CID 29076

IUPAC2-methylsulfanylpyridine
SMILESCSc1ccccn1
InChIInChI=1S/C6H7NS/c1-8-6-4-2-3-5-7-6/h2-5H,1H3
InChIKeyVLQBSKLZRSUMTJ-UHFFFAOYSA-N
MW125.20 g/mol
LogP1.80
Rot. Bonds1

About 2-methylsulfanylpyridine

2-methylsulfanylpyridine (PubChem CID 29076) has the molecular formula C6H7NS and a molecular weight of 125.20 g/mol. Its IUPAC name is 2-methylsulfanylpyridine.

Molecular Properties

Compound Name2-methylsulfanylpyridine
PubChem CID29076
Molecular FormulaC6H7NS
Molecular Weight125.20 g/mol
Exact Mass125.03
IUPAC Name2-methylsulfanylpyridine
SMILESCSc1ccccn1
InChIInChI=1S/C6H7NS/c1-8-6-4-2-3-5-7-6/h2-5H,1H3
InChIKeyVLQBSKLZRSUMTJ-UHFFFAOYSA-N
XLogP1.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.20
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyridine
CID 1049
2,2'-Dipyridyl disulfide
CID 65093
Pyridine-D5
CID 558519
3-(Ethylsulfonyl)pyridine-2-sulfonamide
CID 164047
Pyridinium chloride
CID 10176127
2-Pyridinesulfonic acid
CID 94849
(Pyridin-2-ylsulfanyl)-acetic acid
CID 654661
2-(Benzenesulfonyl)pyridine
CID 289829
4-(Phenylthio)pyridine
CID 99184
2-Phenylthiopyridine
CID 817760
2-(Methyldithio)Pyridine-N-Oxide
CID 13386157
3-Mercaptopyridine
CID 27691

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpyridine?
The IUPAC name of 2-methylsulfanylpyridine (CID 29076) is 2-methylsulfanylpyridine.
What is the SMILES notation for 2-methylsulfanylpyridine?
The canonical SMILES for 2-methylsulfanylpyridine is CSc1ccccn1.
What is the InChIKey of 2-methylsulfanylpyridine?
The InChIKey is VLQBSKLZRSUMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS/c1-8-6-4-2-3-5-7-6/h2-5H,1H3.
What are the key properties of 2-methylsulfanylpyridine?
2-methylsulfanylpyridine has a molecular weight of 125.20 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpyridine is sourced from PubChem (CID 29076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).